Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiSe2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 26 7 1164 1164 177 Max 27 27 8 1175 1175 188 Sum 967 967 283 42155 42155 6581 bravais-lattice index = 14 lattice parameter (alat) = 6.6764 a.u. unit-cell volume = 437.3243 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.676402 celldm(2)= 1.000000 celldm(3)= 1.696858 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.696858 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.589324 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Ti 12.00 47.86700 Ti( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 374 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0096154 0.0055514 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0192308 0.0111029 -0.0000000), wk = 0.0026738 k( 4) = ( 0.0288462 0.0166543 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0026738 k( 6) = ( 0.0480769 0.0277572 -0.0000000), wk = 0.0026738 k( 7) = ( 0.0576923 0.0333087 -0.0000000), wk = 0.0026738 k( 8) = ( 0.0673077 0.0388601 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0026738 k( 10) = ( 0.0865385 0.0499630 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0961538 0.0555145 -0.0000000), wk = 0.0026738 k( 12) = ( 0.1057692 0.0610659 -0.0000000), wk = 0.0026738 k( 13) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0026738 k( 14) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0026738 k( 15) = ( 0.1346154 0.0777202 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1442308 0.0832717 -0.0000000), wk = 0.0026738 k( 17) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1634615 0.0943746 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1730769 0.0999260 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1826923 0.1054775 -0.0000000), wk = 0.0026738 k( 21) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0026738 k( 22) = ( 0.2019231 0.1165803 -0.0000000), wk = 0.0026738 k( 23) = ( 0.2115385 0.1221318 -0.0000000), wk = 0.0026738 k( 24) = ( 0.2211539 0.1276832 -0.0000000), wk = 0.0026738 k( 25) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2403846 0.1387861 -0.0000000), wk = 0.0026738 k( 27) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026738 k( 28) = ( 0.2596154 0.1498890 -0.0000000), wk = 0.0026738 k( 29) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2788462 0.1609919 -0.0000000), wk = 0.0026738 k( 31) = ( 0.2884615 0.1665433 -0.0000000), wk = 0.0026738 k( 32) = ( 0.2980769 0.1720948 -0.0000000), wk = 0.0026738 k( 33) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0026738 k( 34) = ( 0.3173077 0.1831977 -0.0000000), wk = 0.0026738 k( 35) = ( 0.3269231 0.1887491 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3365385 0.1943006 -0.0000000), wk = 0.0026738 k( 37) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3557692 0.2054035 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3653846 0.2109549 -0.0000000), wk = 0.0026738 k( 40) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0026738 k( 42) = ( 0.3942308 0.2276092 -0.0000000), wk = 0.0026738 k( 43) = ( 0.4038462 0.2331607 -0.0000000), wk = 0.0026738 k( 44) = ( 0.4134615 0.2387121 -0.0000000), wk = 0.0026738 k( 45) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0026738 k( 46) = ( 0.4326923 0.2498150 -0.0000000), wk = 0.0026738 k( 47) = ( 0.4423077 0.2553665 -0.0000000), wk = 0.0026738 k( 48) = ( 0.4519231 0.2609179 -0.0000000), wk = 0.0026738 k( 49) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0026738 k( 50) = ( 0.4711538 0.2720208 -0.0000000), wk = 0.0026738 k( 51) = ( 0.4807692 0.2775722 -0.0000000), wk = 0.0026738 k( 52) = ( 0.4903846 0.2831237 -0.0000000), wk = 0.0026738 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 54) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 55) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0026738 k( 56) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0026738 k( 57) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0026738 k( 58) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0026738 k( 59) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0026738 k( 60) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0026738 k( 61) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0026738 k( 62) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0026738 k( 63) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0026738 k( 64) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026738 k( 65) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0026738 k( 66) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0026738 k( 67) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0026738 k( 68) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0026738 k( 69) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0026738 k( 70) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0026738 k( 71) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0026738 k( 72) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0026738 k( 73) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0026738 k( 74) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026738 k( 75) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0026738 k( 76) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0026738 k( 77) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0026738 k( 78) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0026738 k( 79) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0026738 k( 80) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0026738 k( 81) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0026738 k( 82) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0026738 k( 83) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0026738 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 85) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 86) = ( 0.3277778 0.5677278 -0.0000000), wk = 0.0026738 k( 87) = ( 0.3222222 0.5581053 -0.0000000), wk = 0.0026738 k( 88) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0026738 k( 89) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0026738 k( 90) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0026738 k( 91) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0026738 k( 92) = ( 0.2944444 0.5099927 -0.0000000), wk = 0.0026738 k( 93) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0026738 k( 94) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0026738 k( 95) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0026738 k( 96) = ( 0.2722222 0.4715027 -0.0000000), wk = 0.0026738 k( 97) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0026738 k( 98) = ( 0.2611111 0.4522577 -0.0000000), wk = 0.0026738 k( 99) = ( 0.2555556 0.4426352 -0.0000000), wk = 0.0026738 k( 100) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0026738 k( 101) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0026738 k( 102) = ( 0.2388889 0.4137677 -0.0000000), wk = 0.0026738 k( 103) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0026738 k( 104) = ( 0.2277778 0.3945227 -0.0000000), wk = 0.0026738 k( 105) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0026738 k( 106) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0026738 k( 107) = ( 0.2111111 0.3656552 -0.0000000), wk = 0.0026738 k( 108) = ( 0.2055556 0.3560327 -0.0000000), wk = 0.0026738 k( 109) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0026738 k( 110) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0026738 k( 111) = ( 0.1888889 0.3271652 -0.0000000), wk = 0.0026738 k( 112) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0026738 k( 113) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0026738 k( 114) = ( 0.1722222 0.2982976 -0.0000000), wk = 0.0026738 k( 115) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0026738 k( 116) = ( 0.1611111 0.2790526 -0.0000000), wk = 0.0026738 k( 117) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0026738 k( 118) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0026738 k( 119) = ( 0.1444444 0.2501851 -0.0000000), wk = 0.0026738 k( 120) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0026738 k( 121) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0026738 k( 122) = ( 0.1277778 0.2213176 -0.0000000), wk = 0.0026738 k( 123) = ( 0.1222222 0.2116951 -0.0000000), wk = 0.0026738 k( 124) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0026738 k( 125) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0026738 k( 126) = ( 0.1055556 0.1828276 -0.0000000), wk = 0.0026738 k( 127) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0026738 k( 128) = ( 0.0944444 0.1635826 -0.0000000), wk = 0.0026738 k( 129) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0026738 k( 130) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0026738 k( 131) = ( 0.0777778 0.1347151 -0.0000000), wk = 0.0026738 k( 132) = ( 0.0722222 0.1250926 -0.0000000), wk = 0.0026738 k( 133) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0026738 k( 134) = ( 0.0611111 0.1058475 -0.0000000), wk = 0.0026738 k( 135) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0026738 k( 136) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0026738 k( 137) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0026738 k( 138) = ( 0.0388889 0.0673575 -0.0000000), wk = 0.0026738 k( 139) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0026738 k( 140) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0026738 k( 141) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0026738 k( 142) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0026738 k( 143) = ( 0.0111111 0.0192450 -0.0000000), wk = 0.0026738 k( 144) = ( 0.0055556 0.0096225 -0.0000000), wk = 0.0026738 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 147) = ( 0.0000000 0.0000000 0.0109134), wk = 0.0026738 k( 148) = ( 0.0000000 0.0000000 0.0218268), wk = 0.0026738 k( 149) = ( 0.0000000 0.0000000 0.0327402), wk = 0.0026738 k( 150) = ( 0.0000000 0.0000000 0.0436537), wk = 0.0026738 k( 151) = ( 0.0000000 0.0000000 0.0545671), wk = 0.0026738 k( 152) = ( 0.0000000 0.0000000 0.0654805), wk = 0.0026738 k( 153) = ( 0.0000000 0.0000000 0.0763939), wk = 0.0026738 k( 154) = ( 0.0000000 0.0000000 0.0873073), wk = 0.0026738 k( 155) = ( 0.0000000 0.0000000 0.0982207), wk = 0.0026738 k( 156) = ( 0.0000000 0.0000000 0.1091342), wk = 0.0026738 k( 157) = ( 0.0000000 0.0000000 0.1200476), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.1309610), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.1418744), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.1527878), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.1637012), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.1746147), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.1855281), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.1964415), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.2073549), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.2182683), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.2291817), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.2400951), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.2510086), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.2619220), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.2728354), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.2837488), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.2946622), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.2946622), wk = 0.0026738 k( 175) = ( 0.0096154 0.0055514 0.2946622), wk = 0.0026738 k( 176) = ( 0.0192308 0.0111029 0.2946622), wk = 0.0026738 k( 177) = ( 0.0288462 0.0166543 0.2946622), wk = 0.0026738 k( 178) = ( 0.0384615 0.0222058 0.2946622), wk = 0.0026738 k( 179) = ( 0.0480769 0.0277572 0.2946622), wk = 0.0026738 k( 180) = ( 0.0576923 0.0333087 0.2946622), wk = 0.0026738 k( 181) = ( 0.0673077 0.0388601 0.2946622), wk = 0.0026738 k( 182) = ( 0.0769231 0.0444116 0.2946622), wk = 0.0026738 k( 183) = ( 0.0865385 0.0499630 0.2946622), wk = 0.0026738 k( 184) = ( 0.0961538 0.0555145 0.2946622), wk = 0.0026738 k( 185) = ( 0.1057692 0.0610659 0.2946622), wk = 0.0026738 k( 186) = ( 0.1153846 0.0666173 0.2946622), wk = 0.0026738 k( 187) = ( 0.1250000 0.0721688 0.2946622), wk = 0.0026738 k( 188) = ( 0.1346154 0.0777202 0.2946622), wk = 0.0026738 k( 189) = ( 0.1442308 0.0832717 0.2946622), wk = 0.0026738 k( 190) = ( 0.1538461 0.0888231 0.2946622), wk = 0.0026738 k( 191) = ( 0.1634615 0.0943746 0.2946622), wk = 0.0026738 k( 192) = ( 0.1730769 0.0999260 0.2946622), wk = 0.0026738 k( 193) = ( 0.1826923 0.1054775 0.2946622), wk = 0.0026738 k( 194) = ( 0.1923077 0.1110289 0.2946622), wk = 0.0026738 k( 195) = ( 0.2019231 0.1165803 0.2946622), wk = 0.0026738 k( 196) = ( 0.2115385 0.1221318 0.2946622), wk = 0.0026738 k( 197) = ( 0.2211539 0.1276832 0.2946622), wk = 0.0026738 k( 198) = ( 0.2307692 0.1332347 0.2946622), wk = 0.0026738 k( 199) = ( 0.2403846 0.1387861 0.2946622), wk = 0.0026738 k( 200) = ( 0.2500000 0.1443376 0.2946622), wk = 0.0026738 k( 201) = ( 0.2596154 0.1498890 0.2946622), wk = 0.0026738 k( 202) = ( 0.2692308 0.1554405 0.2946622), wk = 0.0026738 k( 203) = ( 0.2788462 0.1609919 0.2946622), wk = 0.0026738 k( 204) = ( 0.2884615 0.1665433 0.2946622), wk = 0.0026738 k( 205) = ( 0.2980769 0.1720948 0.2946622), wk = 0.0026738 k( 206) = ( 0.3076923 0.1776462 0.2946622), wk = 0.0026738 k( 207) = ( 0.3173077 0.1831977 0.2946622), wk = 0.0026738 k( 208) = ( 0.3269231 0.1887491 0.2946622), wk = 0.0026738 k( 209) = ( 0.3365385 0.1943006 0.2946622), wk = 0.0026738 k( 210) = ( 0.3461538 0.1998520 0.2946622), wk = 0.0026738 k( 211) = ( 0.3557692 0.2054035 0.2946622), wk = 0.0026738 k( 212) = ( 0.3653846 0.2109549 0.2946622), wk = 0.0026738 k( 213) = ( 0.3750000 0.2165064 0.2946622), wk = 0.0026738 k( 214) = ( 0.3846154 0.2220578 0.2946622), wk = 0.0026738 k( 215) = ( 0.3942308 0.2276092 0.2946622), wk = 0.0026738 k( 216) = ( 0.4038462 0.2331607 0.2946622), wk = 0.0026738 k( 217) = ( 0.4134615 0.2387121 0.2946622), wk = 0.0026738 k( 218) = ( 0.4230769 0.2442636 0.2946622), wk = 0.0026738 k( 219) = ( 0.4326923 0.2498150 0.2946622), wk = 0.0026738 k( 220) = ( 0.4423077 0.2553665 0.2946622), wk = 0.0026738 k( 221) = ( 0.4519231 0.2609179 0.2946622), wk = 0.0026738 k( 222) = ( 0.4615385 0.2664694 0.2946622), wk = 0.0026738 k( 223) = ( 0.4711538 0.2720208 0.2946622), wk = 0.0026738 k( 224) = ( 0.4807692 0.2775722 0.2946622), wk = 0.0026738 k( 225) = ( 0.4903846 0.2831237 0.2946622), wk = 0.0026738 k( 226) = ( 0.5000000 0.2886751 0.2946622), wk = 0.0026738 k( 227) = ( 0.5000000 0.2886751 0.2946622), wk = 0.0026738 k( 228) = ( 0.4944444 0.2982976 0.2946622), wk = 0.0026738 k( 229) = ( 0.4888889 0.3079201 0.2946622), wk = 0.0026738 k( 230) = ( 0.4833333 0.3175426 0.2946622), wk = 0.0026738 k( 231) = ( 0.4777778 0.3271651 0.2946622), wk = 0.0026738 k( 232) = ( 0.4722222 0.3367877 0.2946622), wk = 0.0026738 k( 233) = ( 0.4666667 0.3464102 0.2946622), wk = 0.0026738 k( 234) = ( 0.4611111 0.3560327 0.2946622), wk = 0.0026738 k( 235) = ( 0.4555556 0.3656552 0.2946622), wk = 0.0026738 k( 236) = ( 0.4500000 0.3752777 0.2946622), wk = 0.0026738 k( 237) = ( 0.4444444 0.3849002 0.2946622), wk = 0.0026738 k( 238) = ( 0.4388889 0.3945227 0.2946622), wk = 0.0026738 k( 239) = ( 0.4333333 0.4041452 0.2946622), wk = 0.0026738 k( 240) = ( 0.4277778 0.4137677 0.2946622), wk = 0.0026738 k( 241) = ( 0.4222222 0.4233902 0.2946622), wk = 0.0026738 k( 242) = ( 0.4166667 0.4330127 0.2946622), wk = 0.0026738 k( 243) = ( 0.4111111 0.4426352 0.2946622), wk = 0.0026738 k( 244) = ( 0.4055556 0.4522577 0.2946622), wk = 0.0026738 k( 245) = ( 0.4000000 0.4618802 0.2946622), wk = 0.0026738 k( 246) = ( 0.3944444 0.4715027 0.2946622), wk = 0.0026738 k( 247) = ( 0.3888889 0.4811252 0.2946622), wk = 0.0026738 k( 248) = ( 0.3833333 0.4907477 0.2946622), wk = 0.0026738 k( 249) = ( 0.3777778 0.5003702 0.2946622), wk = 0.0026738 k( 250) = ( 0.3722222 0.5099927 0.2946622), wk = 0.0026738 k( 251) = ( 0.3666667 0.5196152 0.2946622), wk = 0.0026738 k( 252) = ( 0.3611111 0.5292377 0.2946622), wk = 0.0026738 k( 253) = ( 0.3555556 0.5388603 0.2946622), wk = 0.0026738 k( 254) = ( 0.3500000 0.5484828 0.2946622), wk = 0.0026738 k( 255) = ( 0.3444444 0.5581053 0.2946622), wk = 0.0026738 k( 256) = ( 0.3388889 0.5677278 0.2946622), wk = 0.0026738 k( 257) = ( 0.3333333 0.5773503 0.2946622), wk = 0.0026738 k( 258) = ( 0.3333333 0.5773503 0.2946622), wk = 0.0026738 k( 259) = ( 0.3277778 0.5677278 0.2946622), wk = 0.0026738 k( 260) = ( 0.3222222 0.5581053 0.2946622), wk = 0.0026738 k( 261) = ( 0.3166667 0.5484828 0.2946622), wk = 0.0026738 k( 262) = ( 0.3111111 0.5388602 0.2946622), wk = 0.0026738 k( 263) = ( 0.3055556 0.5292378 0.2946622), wk = 0.0026738 k( 264) = ( 0.3000000 0.5196152 0.2946622), wk = 0.0026738 k( 265) = ( 0.2944444 0.5099927 0.2946622), wk = 0.0026738 k( 266) = ( 0.2888889 0.5003702 0.2946622), wk = 0.0026738 k( 267) = ( 0.2833333 0.4907477 0.2946622), wk = 0.0026738 k( 268) = ( 0.2777778 0.4811252 0.2946622), wk = 0.0026738 k( 269) = ( 0.2722222 0.4715027 0.2946622), wk = 0.0026738 k( 270) = ( 0.2666667 0.4618802 0.2946622), wk = 0.0026738 k( 271) = ( 0.2611111 0.4522577 0.2946622), wk = 0.0026738 k( 272) = ( 0.2555556 0.4426352 0.2946622), wk = 0.0026738 k( 273) = ( 0.2500000 0.4330127 0.2946622), wk = 0.0026738 k( 274) = ( 0.2444444 0.4233902 0.2946622), wk = 0.0026738 k( 275) = ( 0.2388889 0.4137677 0.2946622), wk = 0.0026738 k( 276) = ( 0.2333333 0.4041452 0.2946622), wk = 0.0026738 k( 277) = ( 0.2277778 0.3945227 0.2946622), wk = 0.0026738 k( 278) = ( 0.2222222 0.3849002 0.2946622), wk = 0.0026738 k( 279) = ( 0.2166667 0.3752777 0.2946622), wk = 0.0026738 k( 280) = ( 0.2111111 0.3656552 0.2946622), wk = 0.0026738 k( 281) = ( 0.2055556 0.3560327 0.2946622), wk = 0.0026738 k( 282) = ( 0.2000000 0.3464102 0.2946622), wk = 0.0026738 k( 283) = ( 0.1944444 0.3367876 0.2946622), wk = 0.0026738 k( 284) = ( 0.1888889 0.3271652 0.2946622), wk = 0.0026738 k( 285) = ( 0.1833333 0.3175426 0.2946622), wk = 0.0026738 k( 286) = ( 0.1777778 0.3079201 0.2946622), wk = 0.0026738 k( 287) = ( 0.1722222 0.2982976 0.2946622), wk = 0.0026738 k( 288) = ( 0.1666667 0.2886751 0.2946622), wk = 0.0026738 k( 289) = ( 0.1611111 0.2790526 0.2946622), wk = 0.0026738 k( 290) = ( 0.1555556 0.2694301 0.2946622), wk = 0.0026738 k( 291) = ( 0.1500000 0.2598076 0.2946622), wk = 0.0026738 k( 292) = ( 0.1444444 0.2501851 0.2946622), wk = 0.0026738 k( 293) = ( 0.1388889 0.2405626 0.2946622), wk = 0.0026738 k( 294) = ( 0.1333333 0.2309401 0.2946622), wk = 0.0026738 k( 295) = ( 0.1277778 0.2213176 0.2946622), wk = 0.0026738 k( 296) = ( 0.1222222 0.2116951 0.2946622), wk = 0.0026738 k( 297) = ( 0.1166667 0.2020726 0.2946622), wk = 0.0026738 k( 298) = ( 0.1111111 0.1924501 0.2946622), wk = 0.0026738 k( 299) = ( 0.1055556 0.1828276 0.2946622), wk = 0.0026738 k( 300) = ( 0.1000000 0.1732051 0.2946622), wk = 0.0026738 k( 301) = ( 0.0944444 0.1635826 0.2946622), wk = 0.0026738 k( 302) = ( 0.0888889 0.1539601 0.2946622), wk = 0.0026738 k( 303) = ( 0.0833333 0.1443376 0.2946622), wk = 0.0026738 k( 304) = ( 0.0777778 0.1347151 0.2946622), wk = 0.0026738 k( 305) = ( 0.0722222 0.1250926 0.2946622), wk = 0.0026738 k( 306) = ( 0.0666667 0.1154701 0.2946622), wk = 0.0026738 k( 307) = ( 0.0611111 0.1058475 0.2946622), wk = 0.0026738 k( 308) = ( 0.0555556 0.0962251 0.2946622), wk = 0.0026738 k( 309) = ( 0.0500000 0.0866025 0.2946622), wk = 0.0026738 k( 310) = ( 0.0444444 0.0769800 0.2946622), wk = 0.0026738 k( 311) = ( 0.0388889 0.0673575 0.2946622), wk = 0.0026738 k( 312) = ( 0.0333333 0.0577350 0.2946622), wk = 0.0026738 k( 313) = ( 0.0277778 0.0481125 0.2946622), wk = 0.0026738 k( 314) = ( 0.0222222 0.0384900 0.2946622), wk = 0.0026738 k( 315) = ( 0.0166667 0.0288675 0.2946622), wk = 0.0026738 k( 316) = ( 0.0111111 0.0192450 0.2946622), wk = 0.0026738 k( 317) = ( 0.0055556 0.0096225 0.2946622), wk = 0.0026738 k( 318) = ( 0.0000000 0.0000000 0.2946622), wk = 0.0026738 k( 319) = ( 0.5000000 0.2886751 0.2946622), wk = 0.0026738 k( 320) = ( 0.5000000 0.2886751 0.2837488), wk = 0.0026738 k( 321) = ( 0.5000000 0.2886751 0.2728354), wk = 0.0026738 k( 322) = ( 0.5000000 0.2886751 0.2619220), wk = 0.0026738 k( 323) = ( 0.5000000 0.2886751 0.2510086), wk = 0.0026738 k( 324) = ( 0.5000000 0.2886751 0.2400951), wk = 0.0026738 k( 325) = ( 0.5000000 0.2886751 0.2291817), wk = 0.0026738 k( 326) = ( 0.5000000 0.2886751 0.2182683), wk = 0.0026738 k( 327) = ( 0.5000000 0.2886751 0.2073549), wk = 0.0026738 k( 328) = ( 0.5000000 0.2886751 0.1964415), wk = 0.0026738 k( 329) = ( 0.5000000 0.2886751 0.1855281), wk = 0.0026738 k( 330) = ( 0.5000000 0.2886751 0.1746147), wk = 0.0026738 k( 331) = ( 0.5000000 0.2886751 0.1637012), wk = 0.0026738 k( 332) = ( 0.5000000 0.2886751 0.1527878), wk = 0.0026738 k( 333) = ( 0.5000000 0.2886751 0.1418744), wk = 0.0026738 k( 334) = ( 0.5000000 0.2886751 0.1309610), wk = 0.0026738 k( 335) = ( 0.5000000 0.2886751 0.1200476), wk = 0.0026738 k( 336) = ( 0.5000000 0.2886751 0.1091342), wk = 0.0026738 k( 337) = ( 0.5000000 0.2886751 0.0982207), wk = 0.0026738 k( 338) = ( 0.5000000 0.2886751 0.0873073), wk = 0.0026738 k( 339) = ( 0.5000000 0.2886751 0.0763939), wk = 0.0026738 k( 340) = ( 0.5000000 0.2886751 0.0654805), wk = 0.0026738 k( 341) = ( 0.5000000 0.2886751 0.0545671), wk = 0.0026738 k( 342) = ( 0.5000000 0.2886751 0.0436537), wk = 0.0026738 k( 343) = ( 0.5000000 0.2886751 0.0327402), wk = 0.0026738 k( 344) = ( 0.5000000 0.2886751 0.0218268), wk = 0.0026738 k( 345) = ( 0.5000000 0.2886751 0.0109134), wk = 0.0026738 k( 346) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026738 k( 347) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026738 k( 348) = ( 0.3333333 0.5773503 0.0109134), wk = 0.0026738 k( 349) = ( 0.3333333 0.5773503 0.0218268), wk = 0.0026738 k( 350) = ( 0.3333333 0.5773503 0.0327402), wk = 0.0026738 k( 351) = ( 0.3333333 0.5773503 0.0436537), wk = 0.0026738 k( 352) = ( 0.3333333 0.5773503 0.0545671), wk = 0.0026738 k( 353) = ( 0.3333333 0.5773503 0.0654805), wk = 0.0026738 k( 354) = ( 0.3333333 0.5773503 0.0763939), wk = 0.0026738 k( 355) = ( 0.3333333 0.5773503 0.0873073), wk = 0.0026738 k( 356) = ( 0.3333333 0.5773503 0.0982207), wk = 0.0026738 k( 357) = ( 0.3333333 0.5773503 0.1091342), wk = 0.0026738 k( 358) = ( 0.3333333 0.5773503 0.1200476), wk = 0.0026738 k( 359) = ( 0.3333333 0.5773503 0.1309610), wk = 0.0026738 k( 360) = ( 0.3333333 0.5773503 0.1418744), wk = 0.0026738 k( 361) = ( 0.3333333 0.5773503 0.1527878), wk = 0.0026738 k( 362) = ( 0.3333333 0.5773503 0.1637012), wk = 0.0026738 k( 363) = ( 0.3333333 0.5773503 0.1746147), wk = 0.0026738 k( 364) = ( 0.3333333 0.5773503 0.1855281), wk = 0.0026738 k( 365) = ( 0.3333333 0.5773503 0.1964415), wk = 0.0026738 k( 366) = ( 0.3333333 0.5773503 0.2073549), wk = 0.0026738 k( 367) = ( 0.3333333 0.5773503 0.2182683), wk = 0.0026738 k( 368) = ( 0.3333333 0.5773503 0.2291817), wk = 0.0026738 k( 369) = ( 0.3333333 0.5773503 0.2400951), wk = 0.0026738 k( 370) = ( 0.3333333 0.5773503 0.2510086), wk = 0.0026738 k( 371) = ( 0.3333333 0.5773503 0.2619220), wk = 0.0026738 k( 372) = ( 0.3333333 0.5773503 0.2728354), wk = 0.0026738 k( 373) = ( 0.3333333 0.5773503 0.2837488), wk = 0.0026738 k( 374) = ( 0.3333333 0.5773503 0.2946622), wk = 0.0026738 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 2) = ( 0.0096154 -0.0000000 -0.0000000), wk = 0.0026738 k( 3) = ( 0.0192308 -0.0000000 0.0000000), wk = 0.0026738 k( 4) = ( 0.0288462 0.0000000 -0.0000000), wk = 0.0026738 k( 5) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0026738 k( 6) = ( 0.0480769 -0.0000000 0.0000000), wk = 0.0026738 k( 7) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0026738 k( 8) = ( 0.0673077 -0.0000000 -0.0000000), wk = 0.0026738 k( 9) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0026738 k( 10) = ( 0.0865385 0.0000000 -0.0000000), wk = 0.0026738 k( 11) = ( 0.0961538 -0.0000000 0.0000000), wk = 0.0026738 k( 12) = ( 0.1057692 -0.0000000 0.0000000), wk = 0.0026738 k( 13) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0026738 k( 14) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0026738 k( 15) = ( 0.1346154 -0.0000000 -0.0000000), wk = 0.0026738 k( 16) = ( 0.1442308 -0.0000000 0.0000000), wk = 0.0026738 k( 17) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0026738 k( 18) = ( 0.1634615 -0.0000000 -0.0000000), wk = 0.0026738 k( 19) = ( 0.1730769 0.0000000 -0.0000000), wk = 0.0026738 k( 20) = ( 0.1826923 -0.0000000 0.0000000), wk = 0.0026738 k( 21) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0026738 k( 22) = ( 0.2019231 -0.0000000 -0.0000000), wk = 0.0026738 k( 23) = ( 0.2115385 -0.0000000 0.0000000), wk = 0.0026738 k( 24) = ( 0.2211539 -0.0000000 0.0000000), wk = 0.0026738 k( 25) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0026738 k( 26) = ( 0.2403846 -0.0000000 0.0000000), wk = 0.0026738 k( 27) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026738 k( 28) = ( 0.2596154 -0.0000000 0.0000000), wk = 0.0026738 k( 29) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0026738 k( 30) = ( 0.2788462 -0.0000000 0.0000000), wk = 0.0026738 k( 31) = ( 0.2884615 -0.0000000 0.0000000), wk = 0.0026738 k( 32) = ( 0.2980769 0.0000000 -0.0000000), wk = 0.0026738 k( 33) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0026738 k( 34) = ( 0.3173077 -0.0000000 0.0000000), wk = 0.0026738 k( 35) = ( 0.3269231 -0.0000000 -0.0000000), wk = 0.0026738 k( 36) = ( 0.3365385 -0.0000000 0.0000000), wk = 0.0026738 k( 37) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0026738 k( 38) = ( 0.3557692 -0.0000000 -0.0000000), wk = 0.0026738 k( 39) = ( 0.3653846 -0.0000000 0.0000000), wk = 0.0026738 k( 40) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0026738 k( 41) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0026738 k( 42) = ( 0.3942308 -0.0000000 -0.0000000), wk = 0.0026738 k( 43) = ( 0.4038462 -0.0000000 0.0000000), wk = 0.0026738 k( 44) = ( 0.4134615 -0.0000000 0.0000000), wk = 0.0026738 k( 45) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0026738 k( 46) = ( 0.4326923 -0.0000000 0.0000000), wk = 0.0026738 k( 47) = ( 0.4423077 -0.0000000 -0.0000000), wk = 0.0026738 k( 48) = ( 0.4519231 -0.0000000 0.0000000), wk = 0.0026738 k( 49) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0026738 k( 50) = ( 0.4711538 -0.0000000 0.0000000), wk = 0.0026738 k( 51) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0026738 k( 52) = ( 0.4903846 -0.0000000 -0.0000000), wk = 0.0026738 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026738 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026738 k( 55) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0026738 k( 56) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0026738 k( 57) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0026738 k( 58) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0026738 k( 59) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0026738 k( 60) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0026738 k( 61) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0026738 k( 62) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0026738 k( 63) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0026738 k( 64) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0026738 k( 65) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0026738 k( 66) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0026738 k( 67) = ( 0.4277778 0.1444444 -0.0000000), wk = 0.0026738 k( 68) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0026738 k( 69) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0026738 k( 70) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0026738 k( 71) = ( 0.4055556 0.1888889 -0.0000000), wk = 0.0026738 k( 72) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0026738 k( 73) = ( 0.3944444 0.2111111 -0.0000000), wk = 0.0026738 k( 74) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0026738 k( 75) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0026738 k( 76) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0026738 k( 77) = ( 0.3722222 0.2555556 -0.0000000), wk = 0.0026738 k( 78) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0026738 k( 79) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0026738 k( 80) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0026738 k( 81) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0026738 k( 82) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0026738 k( 83) = ( 0.3388889 0.3222222 -0.0000000), wk = 0.0026738 k( 84) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026738 k( 85) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026738 k( 86) = ( 0.3277778 0.3277778 0.0000000), wk = 0.0026738 k( 87) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0026738 k( 88) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0026738 k( 89) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0026738 k( 90) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0026738 k( 91) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0026738 k( 92) = ( 0.2944444 0.2944444 -0.0000000), wk = 0.0026738 k( 93) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0026738 k( 94) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0026738 k( 95) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0026738 k( 96) = ( 0.2722222 0.2722222 -0.0000000), wk = 0.0026738 k( 97) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0026738 k( 98) = ( 0.2611111 0.2611111 -0.0000000), wk = 0.0026738 k( 99) = ( 0.2555556 0.2555556 -0.0000000), wk = 0.0026738 k( 100) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026738 k( 101) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0026738 k( 102) = ( 0.2388889 0.2388889 -0.0000000), wk = 0.0026738 k( 103) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0026738 k( 104) = ( 0.2277778 0.2277778 -0.0000000), wk = 0.0026738 k( 105) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0026738 k( 106) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0026738 k( 107) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0026738 k( 108) = ( 0.2055556 0.2055556 0.0000000), wk = 0.0026738 k( 109) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0026738 k( 110) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0026738 k( 111) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0026738 k( 112) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0026738 k( 113) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0026738 k( 114) = ( 0.1722222 0.1722222 0.0000000), wk = 0.0026738 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026738 k( 116) = ( 0.1611111 0.1611111 0.0000000), wk = 0.0026738 k( 117) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0026738 k( 118) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0026738 k( 119) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0026738 k( 120) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0026738 k( 121) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0026738 k( 122) = ( 0.1277778 0.1277778 -0.0000000), wk = 0.0026738 k( 123) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0026738 k( 124) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0026738 k( 125) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0026738 k( 126) = ( 0.1055556 0.1055556 -0.0000000), wk = 0.0026738 k( 127) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0026738 k( 128) = ( 0.0944444 0.0944444 -0.0000000), wk = 0.0026738 k( 129) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0026738 k( 130) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0026738 k( 131) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0026738 k( 132) = ( 0.0722222 0.0722222 0.0000000), wk = 0.0026738 k( 133) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0026738 k( 134) = ( 0.0611111 0.0611111 0.0000000), wk = 0.0026738 k( 135) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0026738 k( 136) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0026738 k( 137) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0026738 k( 138) = ( 0.0388889 0.0388889 0.0000000), wk = 0.0026738 k( 139) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0026738 k( 140) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0026738 k( 141) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0026738 k( 142) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0026738 k( 143) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0026738 k( 144) = ( 0.0055556 0.0055556 -0.0000000), wk = 0.0026738 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026738 k( 147) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0026738 k( 148) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0026738 k( 149) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026738 k( 150) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0026738 k( 151) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0026738 k( 152) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026738 k( 153) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0026738 k( 154) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0026738 k( 155) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026738 k( 156) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0026738 k( 157) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0026738 k( 158) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026738 k( 159) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0026738 k( 160) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0026738 k( 161) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026738 k( 162) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0026738 k( 163) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0026738 k( 164) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026738 k( 165) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0026738 k( 166) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0026738 k( 167) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026738 k( 168) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0026738 k( 169) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0026738 k( 170) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026738 k( 171) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0026738 k( 172) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0026738 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 175) = ( 0.0096154 -0.0000000 0.5000000), wk = 0.0026738 k( 176) = ( 0.0192308 -0.0000000 0.5000000), wk = 0.0026738 k( 177) = ( 0.0288462 0.0000000 0.5000000), wk = 0.0026738 k( 178) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0026738 k( 179) = ( 0.0480769 -0.0000000 0.5000000), wk = 0.0026738 k( 180) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0026738 k( 181) = ( 0.0673077 -0.0000000 0.5000000), wk = 0.0026738 k( 182) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0026738 k( 183) = ( 0.0865385 0.0000000 0.5000000), wk = 0.0026738 k( 184) = ( 0.0961538 -0.0000000 0.5000000), wk = 0.0026738 k( 185) = ( 0.1057692 -0.0000000 0.5000000), wk = 0.0026738 k( 186) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0026738 k( 187) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0026738 k( 188) = ( 0.1346154 -0.0000000 0.5000000), wk = 0.0026738 k( 189) = ( 0.1442308 -0.0000000 0.5000000), wk = 0.0026738 k( 190) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0026738 k( 191) = ( 0.1634615 -0.0000000 0.5000000), wk = 0.0026738 k( 192) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0026738 k( 193) = ( 0.1826923 -0.0000000 0.5000000), wk = 0.0026738 k( 194) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0026738 k( 195) = ( 0.2019231 -0.0000000 0.5000000), wk = 0.0026738 k( 196) = ( 0.2115385 -0.0000000 0.5000000), wk = 0.0026738 k( 197) = ( 0.2211539 -0.0000000 0.5000000), wk = 0.0026738 k( 198) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0026738 k( 199) = ( 0.2403846 -0.0000000 0.5000000), wk = 0.0026738 k( 200) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026738 k( 201) = ( 0.2596154 -0.0000000 0.5000000), wk = 0.0026738 k( 202) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0026738 k( 203) = ( 0.2788462 -0.0000000 0.5000000), wk = 0.0026738 k( 204) = ( 0.2884615 -0.0000000 0.5000000), wk = 0.0026738 k( 205) = ( 0.2980769 0.0000000 0.5000000), wk = 0.0026738 k( 206) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0026738 k( 207) = ( 0.3173077 -0.0000000 0.5000000), wk = 0.0026738 k( 208) = ( 0.3269231 -0.0000000 0.5000000), wk = 0.0026738 k( 209) = ( 0.3365385 -0.0000000 0.5000000), wk = 0.0026738 k( 210) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0026738 k( 211) = ( 0.3557692 -0.0000000 0.5000000), wk = 0.0026738 k( 212) = ( 0.3653846 -0.0000000 0.5000000), wk = 0.0026738 k( 213) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0026738 k( 214) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0026738 k( 215) = ( 0.3942308 -0.0000000 0.5000000), wk = 0.0026738 k( 216) = ( 0.4038462 -0.0000000 0.5000000), wk = 0.0026738 k( 217) = ( 0.4134615 -0.0000000 0.5000000), wk = 0.0026738 k( 218) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0026738 k( 219) = ( 0.4326923 -0.0000000 0.5000000), wk = 0.0026738 k( 220) = ( 0.4423077 -0.0000000 0.5000000), wk = 0.0026738 k( 221) = ( 0.4519231 -0.0000000 0.5000000), wk = 0.0026738 k( 222) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0026738 k( 223) = ( 0.4711538 -0.0000000 0.5000000), wk = 0.0026738 k( 224) = ( 0.4807692 -0.0000000 0.5000000), wk = 0.0026738 k( 225) = ( 0.4903846 -0.0000000 0.5000000), wk = 0.0026738 k( 226) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 227) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 228) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0026738 k( 229) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0026738 k( 230) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0026738 k( 231) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0026738 k( 232) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0026738 k( 233) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0026738 k( 234) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0026738 k( 235) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0026738 k( 236) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0026738 k( 237) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026738 k( 238) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0026738 k( 239) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0026738 k( 240) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0026738 k( 241) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0026738 k( 242) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0026738 k( 243) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0026738 k( 244) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0026738 k( 245) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0026738 k( 246) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0026738 k( 247) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026738 k( 248) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0026738 k( 249) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0026738 k( 250) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0026738 k( 251) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0026738 k( 252) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0026738 k( 253) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0026738 k( 254) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0026738 k( 255) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0026738 k( 256) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0026738 k( 257) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 258) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 k( 259) = ( 0.3277778 0.3277778 0.5000000), wk = 0.0026738 k( 260) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0026738 k( 261) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0026738 k( 262) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0026738 k( 263) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0026738 k( 264) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0026738 k( 265) = ( 0.2944444 0.2944444 0.5000000), wk = 0.0026738 k( 266) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0026738 k( 267) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0026738 k( 268) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0026738 k( 269) = ( 0.2722222 0.2722222 0.5000000), wk = 0.0026738 k( 270) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0026738 k( 271) = ( 0.2611111 0.2611111 0.5000000), wk = 0.0026738 k( 272) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0026738 k( 273) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026738 k( 274) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0026738 k( 275) = ( 0.2388889 0.2388889 0.5000000), wk = 0.0026738 k( 276) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0026738 k( 277) = ( 0.2277778 0.2277778 0.5000000), wk = 0.0026738 k( 278) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0026738 k( 279) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0026738 k( 280) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0026738 k( 281) = ( 0.2055556 0.2055556 0.5000000), wk = 0.0026738 k( 282) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0026738 k( 283) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0026738 k( 284) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0026738 k( 285) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0026738 k( 286) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0026738 k( 287) = ( 0.1722222 0.1722222 0.5000000), wk = 0.0026738 k( 288) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026738 k( 289) = ( 0.1611111 0.1611111 0.5000000), wk = 0.0026738 k( 290) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0026738 k( 291) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0026738 k( 292) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0026738 k( 293) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0026738 k( 294) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0026738 k( 295) = ( 0.1277778 0.1277778 0.5000000), wk = 0.0026738 k( 296) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0026738 k( 297) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0026738 k( 298) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0026738 k( 299) = ( 0.1055556 0.1055556 0.5000000), wk = 0.0026738 k( 300) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0026738 k( 301) = ( 0.0944444 0.0944444 0.5000000), wk = 0.0026738 k( 302) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0026738 k( 303) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0026738 k( 304) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0026738 k( 305) = ( 0.0722222 0.0722222 0.5000000), wk = 0.0026738 k( 306) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0026738 k( 307) = ( 0.0611111 0.0611111 0.5000000), wk = 0.0026738 k( 308) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0026738 k( 309) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0026738 k( 310) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0026738 k( 311) = ( 0.0388889 0.0388889 0.5000000), wk = 0.0026738 k( 312) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0026738 k( 313) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0026738 k( 314) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0026738 k( 315) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0026738 k( 316) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0026738 k( 317) = ( 0.0055556 0.0055556 0.5000000), wk = 0.0026738 k( 318) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026738 k( 319) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026738 k( 320) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0026738 k( 321) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0026738 k( 322) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0026738 k( 323) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0026738 k( 324) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0026738 k( 325) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0026738 k( 326) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0026738 k( 327) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0026738 k( 328) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0026738 k( 329) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0026738 k( 330) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0026738 k( 331) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0026738 k( 332) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0026738 k( 333) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0026738 k( 334) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0026738 k( 335) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0026738 k( 336) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0026738 k( 337) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0026738 k( 338) = ( 0.5000000 0.0000000 0.1481482), wk = 0.0026738 k( 339) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0026738 k( 340) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0026738 k( 341) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0026738 k( 342) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0026738 k( 343) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0026738 k( 344) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0026738 k( 345) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0026738 k( 346) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026738 k( 347) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026738 k( 348) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0026738 k( 349) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0026738 k( 350) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0026738 k( 351) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0026738 k( 352) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0026738 k( 353) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0026738 k( 354) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0026738 k( 355) = ( 0.3333333 0.3333333 0.1481482), wk = 0.0026738 k( 356) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0026738 k( 357) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0026738 k( 358) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0026738 k( 359) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0026738 k( 360) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0026738 k( 361) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0026738 k( 362) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0026738 k( 363) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0026738 k( 364) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0026738 k( 365) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0026738 k( 366) = ( 0.3333333 0.3333333 0.3518519), wk = 0.0026738 k( 367) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0026738 k( 368) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0026738 k( 369) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0026738 k( 370) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0026738 k( 371) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0026738 k( 372) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0026738 k( 373) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0026738 k( 374) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026738 Dense grid: 42155 G-vectors FFT dimensions: ( 40, 40, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 304, 32) NL pseudopotentials 0.14 Mb ( 152, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1171) G-vector shells 0.00 Mb ( 554) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 304, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) The potential is recalculated from file : ./TiSe2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 16 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.5 secs Computing kpt #: 7 total cpu time spent up to now is 2.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.7 secs Computing kpt #: 12 total cpu time spent up to now is 4.0 secs Computing kpt #: 13 total cpu time spent up to now is 4.2 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.7 secs Computing kpt #: 16 total cpu time spent up to now is 4.9 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.4 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.9 secs Computing kpt #: 21 total cpu time spent up to now is 6.1 secs Computing kpt #: 22 total cpu time spent up to now is 6.4 secs Computing kpt #: 23 total cpu time spent up to now is 6.6 secs Computing kpt #: 24 total cpu time spent up to now is 6.8 secs Computing kpt #: 25 total cpu time spent up to now is 7.1 secs Computing kpt #: 26 total cpu time spent up to now is 7.3 secs Computing kpt #: 27 total cpu time spent up to now is 7.6 secs Computing kpt #: 28 total cpu time spent up to now is 7.8 secs Computing kpt #: 29 total cpu time spent up to now is 8.1 secs Computing kpt #: 30 total cpu time spent up to now is 8.3 secs Computing kpt #: 31 total cpu time spent up to now is 8.5 secs Computing kpt #: 32 total cpu time spent up to now is 8.8 secs Computing kpt #: 33 total cpu time spent up to now is 9.0 secs Computing kpt #: 34 total cpu time spent up to now is 9.2 secs Computing kpt #: 35 total cpu time spent up to now is 9.5 secs Computing kpt #: 36 total cpu time spent up to now is 9.7 secs Computing kpt #: 37 total cpu time spent up to now is 10.0 secs Computing kpt #: 38 total cpu time spent up to now is 10.2 secs Computing kpt #: 39 total cpu time spent up to now is 10.4 secs Computing kpt #: 40 total cpu time spent up to now is 10.7 secs Computing kpt #: 41 total cpu time spent up to now is 10.9 secs Computing kpt #: 42 total cpu time spent up to now is 11.1 secs Computing kpt #: 43 total cpu time spent up to now is 11.4 secs Computing kpt #: 44 total cpu time spent up to now is 11.6 secs Computing kpt #: 45 total cpu time spent up to now is 11.9 secs Computing kpt #: 46 total cpu time spent up to now is 12.2 secs Computing kpt #: 47 total cpu time spent up to now is 12.4 secs Computing kpt #: 48 total cpu time spent up to now is 12.7 secs Computing kpt #: 49 total cpu time spent up to now is 12.9 secs Computing kpt #: 50 total cpu time spent up to now is 13.2 secs Computing kpt #: 51 total cpu time spent up to now is 13.4 secs Computing kpt #: 52 total cpu time spent up to now is 13.7 secs Computing kpt #: 53 total cpu time spent up to now is 14.0 secs Computing kpt #: 54 total cpu time spent up to now is 14.3 secs Computing kpt #: 55 total cpu time spent up to now is 14.5 secs Computing kpt #: 56 total cpu time spent up to now is 14.8 secs Computing kpt #: 57 total cpu time spent up to now is 15.0 secs Computing kpt #: 58 total cpu time spent up to now is 15.3 secs Computing kpt #: 59 total cpu time spent up to now is 15.6 secs Computing kpt #: 60 total cpu time spent up to now is 15.8 secs Computing kpt #: 61 total cpu time spent up to now is 16.1 secs Computing kpt #: 62 total cpu time spent up to now is 16.3 secs Computing kpt #: 63 total cpu time spent up to now is 16.6 secs Computing kpt #: 64 total cpu time spent up to now is 16.9 secs Computing kpt #: 65 total cpu time spent up to now is 17.1 secs Computing kpt #: 66 total cpu time spent up to now is 17.4 secs Computing kpt #: 67 total cpu time spent up to now is 17.7 secs Computing kpt #: 68 total cpu time spent up to now is 18.0 secs Computing kpt #: 69 total cpu time spent up to now is 18.2 secs Computing kpt #: 70 total cpu time spent up to now is 18.5 secs Computing kpt #: 71 total cpu time spent up to now is 18.8 secs Computing kpt #: 72 total cpu time spent up to now is 19.0 secs Computing kpt #: 73 total cpu time spent up to now is 19.3 secs Computing kpt #: 74 total cpu time spent up to now is 19.5 secs Computing kpt #: 75 total cpu time spent up to now is 19.8 secs Computing kpt #: 76 total cpu time spent up to now is 20.1 secs Computing kpt #: 77 total cpu time spent up to now is 20.3 secs Computing kpt #: 78 total cpu time spent up to now is 20.6 secs Computing kpt #: 79 total cpu time spent up to now is 20.9 secs Computing kpt #: 80 total cpu time spent up to now is 21.1 secs Computing kpt #: 81 total cpu time spent up to now is 21.4 secs Computing kpt #: 82 total cpu time spent up to now is 21.7 secs Computing kpt #: 83 total cpu time spent up to now is 22.0 secs Computing kpt #: 84 total cpu time spent up to now is 22.4 secs Computing kpt #: 85 total cpu time spent up to now is 22.7 secs Computing kpt #: 86 total cpu time spent up to now is 22.9 secs Computing kpt #: 87 total cpu time spent up to now is 23.2 secs Computing kpt #: 88 total cpu time spent up to now is 23.4 secs Computing kpt #: 89 total cpu time spent up to now is 23.7 secs Computing kpt #: 90 total cpu time spent up to now is 23.9 secs Computing kpt #: 91 total cpu time spent up to now is 24.2 secs Computing kpt #: 92 total cpu time spent up to now is 24.4 secs Computing kpt #: 93 total cpu time spent up to now is 24.7 secs Computing kpt #: 94 total cpu time spent up to now is 24.9 secs Computing kpt #: 95 total cpu time spent up to now is 25.2 secs Computing kpt #: 96 total cpu time spent up to now is 25.4 secs Computing kpt #: 97 total cpu time spent up to now is 25.6 secs Computing kpt #: 98 total cpu time spent up to now is 25.9 secs Computing kpt #: 99 total cpu time spent up to now is 26.1 secs Computing kpt #: 100 total cpu time spent up to now is 26.4 secs Computing kpt #: 101 total cpu time spent up to now is 26.6 secs Computing kpt #: 102 total cpu time spent up to now is 26.8 secs Computing kpt #: 103 total cpu time spent up to now is 27.1 secs Computing kpt #: 104 total cpu time spent up to now is 27.3 secs Computing kpt #: 105 total cpu time spent up to now is 27.6 secs Computing kpt #: 106 total cpu time spent up to now is 27.8 secs Computing kpt #: 107 total cpu time spent up to now is 28.0 secs Computing kpt #: 108 total cpu time spent up to now is 28.3 secs Computing kpt #: 109 total cpu time spent up to now is 28.5 secs Computing kpt #: 110 total cpu time spent up to now is 28.8 secs Computing kpt #: 111 total cpu time spent up to now is 29.0 secs Computing kpt #: 112 total cpu time spent up to now is 29.2 secs Computing kpt #: 113 total cpu time spent up to now is 29.5 secs Computing kpt #: 114 total cpu time spent up to now is 29.7 secs Computing kpt #: 115 total cpu time spent up to now is 29.9 secs Computing kpt #: 116 total cpu time spent up to now is 30.2 secs Computing kpt #: 117 total cpu time spent up to now is 30.4 secs Computing kpt #: 118 total cpu time spent up to now is 30.7 secs Computing kpt #: 119 total cpu time spent up to now is 30.9 secs Computing kpt #: 120 total cpu time spent up to now is 31.1 secs Computing kpt #: 121 total cpu time spent up to now is 31.4 secs Computing kpt #: 122 total cpu time spent up to now is 31.6 secs Computing kpt #: 123 total cpu time spent up to now is 31.8 secs Computing kpt #: 124 total cpu time spent up to now is 32.1 secs Computing kpt #: 125 total cpu time spent up to now is 32.3 secs Computing kpt #: 126 total cpu time spent up to now is 32.6 secs Computing kpt #: 127 total cpu time spent up to now is 32.8 secs Computing kpt #: 128 total cpu time spent up to now is 33.1 secs Computing kpt #: 129 total cpu time spent up to now is 33.3 secs Computing kpt #: 130 total cpu time spent up to now is 33.6 secs Computing kpt #: 131 total cpu time spent up to now is 33.8 secs Computing kpt #: 132 total cpu time spent up to now is 34.0 secs Computing kpt #: 133 total cpu time spent up to now is 34.3 secs Computing kpt #: 134 total cpu time spent up to now is 34.5 secs Computing kpt #: 135 total cpu time spent up to now is 34.8 secs Computing kpt #: 136 total cpu time spent up to now is 35.0 secs Computing kpt #: 137 total cpu time spent up to now is 35.3 secs Computing kpt #: 138 total cpu time spent up to now is 35.5 secs Computing kpt #: 139 total cpu time spent up to now is 35.7 secs Computing kpt #: 140 total cpu time spent up to now is 36.0 secs Computing kpt #: 141 total cpu time spent up to now is 36.2 secs Computing kpt #: 142 total cpu time spent up to now is 36.5 secs Computing kpt #: 143 total cpu time spent up to now is 36.7 secs Computing kpt #: 144 total cpu time spent up to now is 37.0 secs Computing kpt #: 145 total cpu time spent up to now is 37.3 secs Computing kpt #: 146 total cpu time spent up to now is 37.6 secs Computing kpt #: 147 total cpu time spent up to now is 38.0 secs Computing kpt #: 148 total cpu time spent up to now is 38.3 secs Computing kpt #: 149 total cpu time spent up to now is 38.7 secs Computing kpt #: 150 total cpu time spent up to now is 39.0 secs Computing kpt #: 151 total cpu time spent up to now is 39.4 secs Computing kpt #: 152 total cpu time spent up to now is 39.8 secs Computing kpt #: 153 total cpu time spent up to now is 40.1 secs Computing kpt #: 154 total cpu time spent up to now is 40.5 secs Computing kpt #: 155 total cpu time spent up to now is 40.9 secs Computing kpt #: 156 total cpu time spent up to now is 41.2 secs Computing kpt #: 157 total cpu time spent up to now is 41.5 secs Computing kpt #: 158 total cpu time spent up to now is 41.9 secs Computing kpt #: 159 total cpu time spent up to now is 42.2 secs Computing kpt #: 160 total cpu time spent up to now is 42.6 secs Computing kpt #: 161 total cpu time spent up to now is 42.9 secs Computing kpt #: 162 total cpu time spent up to now is 43.3 secs Computing kpt #: 163 total cpu time spent up to now is 43.5 secs Computing kpt #: 164 total cpu time spent up to now is 43.8 secs Computing kpt #: 165 total cpu time spent up to now is 44.1 secs Computing kpt #: 166 total cpu time spent up to now is 44.4 secs Computing kpt #: 167 total cpu time spent up to now is 44.7 secs Computing kpt #: 168 total cpu time spent up to now is 45.0 secs Computing kpt #: 169 total cpu time spent up to now is 45.3 secs Computing kpt #: 170 total cpu time spent up to now is 45.5 secs Computing kpt #: 171 total cpu time spent up to now is 45.8 secs Computing kpt #: 172 total cpu time spent up to now is 46.1 secs Computing kpt #: 173 total cpu time spent up to now is 46.3 secs Computing kpt #: 174 total cpu time spent up to now is 46.6 secs Computing kpt #: 175 total cpu time spent up to now is 46.8 secs Computing kpt #: 176 total cpu time spent up to now is 47.1 secs Computing kpt #: 177 total cpu time spent up to now is 47.3 secs Computing kpt #: 178 total cpu time spent up to now is 47.6 secs Computing kpt #: 179 total cpu time spent up to now is 47.8 secs Computing kpt #: 180 total cpu time spent up to now is 48.1 secs Computing kpt #: 181 total cpu time spent up to now is 48.3 secs Computing kpt #: 182 total cpu time spent up to now is 48.5 secs Computing kpt #: 183 total cpu time spent up to now is 48.8 secs Computing kpt #: 184 total cpu time spent up to now is 49.0 secs Computing kpt #: 185 total cpu time spent up to now is 49.2 secs Computing kpt #: 186 total cpu time spent up to now is 49.5 secs Computing kpt #: 187 total cpu time spent up to now is 49.7 secs Computing kpt #: 188 total cpu time spent up to now is 50.0 secs Computing kpt #: 189 total cpu time spent up to now is 50.2 secs Computing kpt #: 190 total cpu time spent up to now is 50.5 secs Computing kpt #: 191 total cpu time spent up to now is 50.7 secs Computing kpt #: 192 total cpu time spent up to now is 50.9 secs Computing kpt #: 193 total cpu time spent up to now is 51.2 secs Computing kpt #: 194 total cpu time spent up to now is 51.5 secs Computing kpt #: 195 total cpu time spent up to now is 51.7 secs Computing kpt #: 196 total cpu time spent up to now is 52.0 secs Computing kpt #: 197 total cpu time spent up to now is 52.2 secs Computing kpt #: 198 total cpu time spent up to now is 52.5 secs Computing kpt #: 199 total cpu time spent up to now is 52.7 secs Computing kpt #: 200 total cpu time spent up to now is 53.0 secs Computing kpt #: 201 total cpu time spent up to now is 53.2 secs Computing kpt #: 202 total cpu time spent up to now is 53.4 secs Computing kpt #: 203 total cpu time spent up to now is 53.7 secs Computing kpt #: 204 total cpu time spent up to now is 53.9 secs Computing kpt #: 205 total cpu time spent up to now is 54.2 secs Computing kpt #: 206 total cpu time spent up to now is 54.4 secs Computing kpt #: 207 total cpu time spent up to now is 54.7 secs Computing kpt #: 208 total cpu time spent up to now is 54.9 secs Computing kpt #: 209 total cpu time spent up to now is 55.2 secs Computing kpt #: 210 total cpu time spent up to now is 55.4 secs Computing kpt #: 211 total cpu time spent up to now is 55.7 secs Computing kpt #: 212 total cpu time spent up to now is 55.9 secs Computing kpt #: 213 total cpu time spent up to now is 56.2 secs Computing kpt #: 214 total cpu time spent up to now is 56.4 secs Computing kpt #: 215 total cpu time spent up to now is 56.7 secs Computing kpt #: 216 total cpu time spent up to now is 57.0 secs Computing kpt #: 217 total cpu time spent up to now is 57.2 secs Computing kpt #: 218 total cpu time spent up to now is 57.5 secs Computing kpt #: 219 total cpu time spent up to now is 57.8 secs Computing kpt #: 220 total cpu time spent up to now is 58.1 secs Computing kpt #: 221 total cpu time spent up to now is 58.3 secs Computing kpt #: 222 total cpu time spent up to now is 58.6 secs Computing kpt #: 223 total cpu time spent up to now is 58.9 secs Computing kpt #: 224 total cpu time spent up to now is 59.1 secs Computing kpt #: 225 total cpu time spent up to now is 59.4 secs Computing kpt #: 226 total cpu time spent up to now is 59.6 secs Computing kpt #: 227 total cpu time spent up to now is 59.9 secs Computing kpt #: 228 total cpu time spent up to now is 60.1 secs Computing kpt #: 229 total cpu time spent up to now is 60.4 secs Computing kpt #: 230 total cpu time spent up to now is 60.6 secs Computing kpt #: 231 total cpu time spent up to now is 60.9 secs Computing kpt #: 232 total cpu time spent up to now is 61.1 secs Computing kpt #: 233 total cpu time spent up to now is 61.4 secs Computing kpt #: 234 total cpu time spent up to now is 61.6 secs Computing kpt #: 235 total cpu time spent up to now is 61.8 secs Computing kpt #: 236 total cpu time spent up to now is 62.1 secs Computing kpt #: 237 total cpu time spent up to now is 62.3 secs Computing kpt #: 238 total cpu time spent up to now is 62.6 secs Computing kpt #: 239 total cpu time spent up to now is 62.8 secs Computing kpt #: 240 total cpu time spent up to now is 63.1 secs Computing kpt #: 241 total cpu time spent up to now is 63.3 secs Computing kpt #: 242 total cpu time spent up to now is 63.6 secs Computing kpt #: 243 total cpu time spent up to now is 63.8 secs Computing kpt #: 244 total cpu time spent up to now is 64.1 secs Computing kpt #: 245 total cpu time spent up to now is 64.3 secs Computing kpt #: 246 total cpu time spent up to now is 64.5 secs Computing kpt #: 247 total cpu time spent up to now is 64.8 secs Computing kpt #: 248 total cpu time spent up to now is 65.0 secs Computing kpt #: 249 total cpu time spent up to now is 65.3 secs Computing kpt #: 250 total cpu time spent up to now is 65.5 secs Computing kpt #: 251 total cpu time spent up to now is 65.8 secs Computing kpt #: 252 total cpu time spent up to now is 66.0 secs Computing kpt #: 253 total cpu time spent up to now is 66.3 secs Computing kpt #: 254 total cpu time spent up to now is 66.5 secs Computing kpt #: 255 total cpu time spent up to now is 66.8 secs Computing kpt #: 256 total cpu time spent up to now is 67.0 secs Computing kpt #: 257 total cpu time spent up to now is 67.3 secs Computing kpt #: 258 total cpu time spent up to now is 67.5 secs Computing kpt #: 259 total cpu time spent up to now is 67.8 secs Computing kpt #: 260 total cpu time spent up to now is 68.0 secs Computing kpt #: 261 total cpu time spent up to now is 68.3 secs Computing kpt #: 262 total cpu time spent up to now is 68.5 secs Computing kpt #: 263 total cpu time spent up to now is 68.8 secs Computing kpt #: 264 total cpu time spent up to now is 69.0 secs Computing kpt #: 265 total cpu time spent up to now is 69.3 secs Computing kpt #: 266 total cpu time spent up to now is 69.5 secs Computing kpt #: 267 total cpu time spent up to now is 69.7 secs Computing kpt #: 268 total cpu time spent up to now is 70.0 secs Computing kpt #: 269 total cpu time spent up to now is 70.2 secs Computing kpt #: 270 total cpu time spent up to now is 70.5 secs Computing kpt #: 271 total cpu time spent up to now is 70.7 secs Computing kpt #: 272 total cpu time spent up to now is 71.0 secs Computing kpt #: 273 total cpu time spent up to now is 71.2 secs Computing kpt #: 274 total cpu time spent up to now is 71.4 secs Computing kpt #: 275 total cpu time spent up to now is 71.7 secs Computing kpt #: 276 total cpu time spent up to now is 71.9 secs Computing kpt #: 277 total cpu time spent up to now is 72.2 secs Computing kpt #: 278 total cpu time spent up to now is 72.4 secs Computing kpt #: 279 total cpu time spent up to now is 72.7 secs Computing kpt #: 280 total cpu time spent up to now is 72.9 secs Computing kpt #: 281 total cpu time spent up to now is 73.1 secs Computing kpt #: 282 total cpu time spent up to now is 73.4 secs Computing kpt #: 283 total cpu time spent up to now is 73.6 secs Computing kpt #: 284 total cpu time spent up to now is 73.9 secs Computing kpt #: 285 total cpu time spent up to now is 74.1 secs Computing kpt #: 286 total cpu time spent up to now is 74.4 secs Computing kpt #: 287 total cpu time spent up to now is 74.6 secs Computing kpt #: 288 total cpu time spent up to now is 74.9 secs Computing kpt #: 289 total cpu time spent up to now is 75.2 secs Computing kpt #: 290 total cpu time spent up to now is 75.4 secs Computing kpt #: 291 total cpu time spent up to now is 75.7 secs Computing kpt #: 292 total cpu time spent up to now is 75.9 secs Computing kpt #: 293 total cpu time spent up to now is 76.1 secs Computing kpt #: 294 total cpu time spent up to now is 76.4 secs Computing kpt #: 295 total cpu time spent up to now is 76.6 secs Computing kpt #: 296 total cpu time spent up to now is 76.9 secs Computing kpt #: 297 total cpu time spent up to now is 77.2 secs Computing kpt #: 298 total cpu time spent up to now is 77.4 secs Computing kpt #: 299 total cpu time spent up to now is 77.7 secs Computing kpt #: 300 total cpu time spent up to now is 77.9 secs Computing kpt #: 301 total cpu time spent up to now is 78.2 secs Computing kpt #: 302 total cpu time spent up to now is 78.4 secs Computing kpt #: 303 total cpu time spent up to now is 78.7 secs Computing kpt #: 304 total cpu time spent up to now is 78.9 secs Computing kpt #: 305 total cpu time spent up to now is 79.1 secs Computing kpt #: 306 total cpu time spent up to now is 79.4 secs Computing kpt #: 307 total cpu time spent up to now is 79.6 secs Computing kpt #: 308 total cpu time spent up to now is 79.9 secs Computing kpt #: 309 total cpu time spent up to now is 80.1 secs Computing kpt #: 310 total cpu time spent up to now is 80.3 secs Computing kpt #: 311 total cpu time spent up to now is 80.6 secs Computing kpt #: 312 total cpu time spent up to now is 80.8 secs Computing kpt #: 313 total cpu time spent up to now is 81.1 secs Computing kpt #: 314 total cpu time spent up to now is 81.3 secs Computing kpt #: 315 total cpu time spent up to now is 81.6 secs Computing kpt #: 316 total cpu time spent up to now is 81.8 secs Computing kpt #: 317 total cpu time spent up to now is 82.1 secs Computing kpt #: 318 total cpu time spent up to now is 82.4 secs Computing kpt #: 319 total cpu time spent up to now is 82.6 secs Computing kpt #: 320 total cpu time spent up to now is 82.9 secs Computing kpt #: 321 total cpu time spent up to now is 83.2 secs Computing kpt #: 322 total cpu time spent up to now is 83.4 secs Computing kpt #: 323 total cpu time spent up to now is 83.7 secs Computing kpt #: 324 total cpu time spent up to now is 84.0 secs Computing kpt #: 325 total cpu time spent up to now is 84.2 secs Computing kpt #: 326 total cpu time spent up to now is 84.5 secs Computing kpt #: 327 total cpu time spent up to now is 84.8 secs Computing kpt #: 328 total cpu time spent up to now is 85.0 secs Computing kpt #: 329 total cpu time spent up to now is 85.3 secs Computing kpt #: 330 total cpu time spent up to now is 85.6 secs Computing kpt #: 331 total cpu time spent up to now is 85.9 secs Computing kpt #: 332 total cpu time spent up to now is 86.2 secs Computing kpt #: 333 total cpu time spent up to now is 86.5 secs Computing kpt #: 334 total cpu time spent up to now is 86.8 secs Computing kpt #: 335 total cpu time spent up to now is 87.0 secs Computing kpt #: 336 total cpu time spent up to now is 87.3 secs Computing kpt #: 337 total cpu time spent up to now is 87.6 secs Computing kpt #: 338 total cpu time spent up to now is 87.9 secs Computing kpt #: 339 total cpu time spent up to now is 88.2 secs Computing kpt #: 340 total cpu time spent up to now is 88.5 secs Computing kpt #: 341 total cpu time spent up to now is 88.7 secs Computing kpt #: 342 total cpu time spent up to now is 89.0 secs Computing kpt #: 343 total cpu time spent up to now is 89.3 secs Computing kpt #: 344 total cpu time spent up to now is 89.6 secs Computing kpt #: 345 total cpu time spent up to now is 89.9 secs Computing kpt #: 346 total cpu time spent up to now is 90.1 secs Computing kpt #: 347 total cpu time spent up to now is 90.4 secs Computing kpt #: 348 total cpu time spent up to now is 90.7 secs Computing kpt #: 349 total cpu time spent up to now is 91.1 secs Computing kpt #: 350 total cpu time spent up to now is 91.5 secs Computing kpt #: 351 total cpu time spent up to now is 91.8 secs Computing kpt #: 352 total cpu time spent up to now is 92.2 secs Computing kpt #: 353 total cpu time spent up to now is 92.5 secs Computing kpt #: 354 total cpu time spent up to now is 92.8 secs Computing kpt #: 355 total cpu time spent up to now is 93.1 secs Computing kpt #: 356 total cpu time spent up to now is 93.4 secs Computing kpt #: 357 total cpu time spent up to now is 93.6 secs Computing kpt #: 358 total cpu time spent up to now is 93.9 secs Computing kpt #: 359 total cpu time spent up to now is 94.2 secs Computing kpt #: 360 total cpu time spent up to now is 94.5 secs Computing kpt #: 361 total cpu time spent up to now is 94.8 secs Computing kpt #: 362 total cpu time spent up to now is 95.0 secs Computing kpt #: 363 total cpu time spent up to now is 95.3 secs Computing kpt #: 364 total cpu time spent up to now is 95.6 secs Computing kpt #: 365 total cpu time spent up to now is 95.8 secs Computing kpt #: 366 total cpu time spent up to now is 96.1 secs Computing kpt #: 367 total cpu time spent up to now is 96.3 secs Computing kpt #: 368 total cpu time spent up to now is 96.6 secs Computing kpt #: 369 total cpu time spent up to now is 96.8 secs Computing kpt #: 370 total cpu time spent up to now is 97.1 secs Computing kpt #: 371 total cpu time spent up to now is 97.4 secs Computing kpt #: 372 total cpu time spent up to now is 97.6 secs Computing kpt #: 373 total cpu time spent up to now is 97.9 secs Computing kpt #: 374 total cpu time spent up to now is 98.1 secs ethr = 4.17E-08, avg # of iterations = 17.2 total cpu time spent up to now is 98.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5313 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -6.0236 -6.0236 -4.5528 -4.5528 2.6196 2.6196 5.4826 5.4826 5.6230 5.6230 7.9695 7.9695 8.4526 8.4526 8.4534 8.4534 8.4591 8.4591 8.6040 8.6040 8.7344 8.7344 11.3853 11.3853 k = 0.0096 0.0056-0.0000 ( 5313 PWs) bands (ev): -49.5755 -49.5755 -26.2362 -26.2362 -25.5837 -25.5837 -25.5761 -25.5761 -6.0226 -6.0226 -4.5524 -4.5524 2.6210 2.6210 5.4814 5.4814 5.6218 5.6218 7.9647 7.9647 8.4059 8.4059 8.4297 8.4297 8.5046 8.5046 8.6172 8.6172 8.7431 8.7431 11.3827 11.3827 k = 0.0192 0.0111-0.0000 ( 5307 PWs) bands (ev): -49.5755 -49.5755 -26.2362 -26.2362 -25.5837 -25.5837 -25.5762 -25.5762 -6.0195 -6.0195 -4.5515 -4.5515 2.6250 2.6250 5.4778 5.4778 5.6186 5.6186 7.9498 7.9498 8.3563 8.3563 8.3774 8.3774 8.5478 8.5478 8.6432 8.6432 8.7681 8.7681 11.3750 11.3750 k = 0.0288 0.0167-0.0000 ( 5311 PWs) bands (ev): -49.5755 -49.5755 -26.2364 -26.2364 -25.5837 -25.5837 -25.5765 -25.5765 -6.0144 -6.0144 -4.5498 -4.5498 2.6317 2.6317 5.4713 5.4713 5.6138 5.6138 7.9228 7.9228 8.2978 8.2978 8.3256 8.3256 8.5786 8.5786 8.6756 8.6756 8.8045 8.8045 11.3615 11.3615 k = 0.0385 0.0222-0.0000 ( 5297 PWs) bands (ev): -49.5754 -49.5754 -26.2366 -26.2366 -25.5838 -25.5838 -25.5769 -25.5769 -6.0073 -6.0073 -4.5476 -4.5476 2.6410 2.6410 5.4610 5.4610 5.6083 5.6083 7.8815 7.8815 8.2260 8.2260 8.2881 8.2881 8.5943 8.5943 8.7169 8.7169 8.8458 8.8458 11.3420 11.3420 k = 0.0481 0.0278-0.0000 ( 5283 PWs) bands (ev): -49.5753 -49.5753 -26.2368 -26.2368 -25.5839 -25.5839 -25.5773 -25.5773 -5.9981 -5.9981 -4.5447 -4.5447 2.6530 2.6530 5.4463 5.4463 5.6033 5.6033 7.8240 7.8240 8.1505 8.1505 8.2597 8.2597 8.5997 8.5997 8.7639 8.7639 8.8879 8.8879 11.3164 11.3164 k = 0.0577 0.0333-0.0000 ( 5287 PWs) bands (ev): -49.5753 -49.5753 -26.2371 -26.2371 -25.5840 -25.5840 -25.5778 -25.5778 -5.9869 -5.9869 -4.5412 -4.5412 2.6677 2.6677 5.4267 5.4267 5.5995 5.5995 7.7501 7.7501 8.0754 8.0754 8.2380 8.2380 8.5996 8.5996 8.8125 8.8125 8.9291 8.9291 11.2856 11.2856 k = 0.0673 0.0389-0.0000 ( 5289 PWs) bands (ev): -49.5752 -49.5752 -26.2374 -26.2374 -25.5841 -25.5841 -25.5784 -25.5784 -5.9737 -5.9737 -4.5370 -4.5370 2.6849 2.6849 5.4018 5.4018 5.5973 5.5973 7.6611 7.6611 8.0022 8.0022 8.2208 8.2208 8.5962 8.5962 8.8608 8.8608 8.9688 8.9688 11.2511 11.2511 k = 0.0769 0.0444-0.0000 ( 5297 PWs) bands (ev): -49.5751 -49.5751 -26.2378 -26.2378 -25.5844 -25.5844 -25.5791 -25.5791 -5.9585 -5.9585 -4.5323 -4.5323 2.7048 2.7048 5.3721 5.3721 5.5968 5.5968 7.5590 7.5590 7.9314 7.9314 8.2058 8.2058 8.5907 8.5907 8.9075 8.9075 9.0071 9.0071 11.2148 11.2148 k = 0.0865 0.0500-0.0000 ( 5299 PWs) bands (ev): -49.5750 -49.5750 -26.2383 -26.2383 -25.5847 -25.5847 -25.5797 -25.5797 -5.9414 -5.9414 -4.5270 -4.5270 2.7273 2.7273 5.3380 5.3380 5.5979 5.5979 7.4464 7.4464 7.8629 7.8629 8.1911 8.1911 8.5834 8.5834 8.9519 8.9519 9.0440 9.0440 11.1788 11.1788 k = 0.0962 0.0555-0.0000 ( 5293 PWs) bands (ev): -49.5748 -49.5748 -26.2387 -26.2387 -25.5852 -25.5852 -25.5803 -25.5803 -5.9224 -5.9224 -4.5212 -4.5212 2.7523 2.7523 5.3001 5.3001 5.6004 5.6004 7.3254 7.3254 7.7964 7.7964 8.1750 8.1750 8.5748 8.5748 8.9937 8.9937 9.0800 9.0800 11.1446 11.1446 k = 0.1058 0.0611-0.0000 ( 5301 PWs) bands (ev): -49.5747 -49.5747 -26.2393 -26.2393 -25.5858 -25.5858 -25.5808 -25.5808 -5.9015 -5.9015 -4.5148 -4.5148 2.7798 2.7798 5.2589 5.2589 5.6039 5.6039 7.1978 7.1978 7.7315 7.7315 8.1561 8.1561 8.5651 8.5651 9.0325 9.0325 9.1152 9.1152 11.1136 11.1136 k = 0.1154 0.0666-0.0000 ( 5309 PWs) bands (ev): -49.5746 -49.5746 -26.2399 -26.2399 -25.5867 -25.5867 -25.5812 -25.5812 -5.8788 -5.8788 -4.5079 -4.5079 2.8098 2.8098 5.2149 5.2149 5.6083 5.6083 7.0651 7.0651 7.6681 7.6681 8.1335 8.1335 8.5543 8.5543 9.0686 9.0686 9.1495 9.1495 11.0869 11.0869 k = 0.1250 0.0722-0.0000 ( 5313 PWs) bands (ev): -49.5744 -49.5744 -26.2405 -26.2405 -25.5878 -25.5878 -25.5814 -25.5814 -5.8542 -5.8542 -4.5005 -4.5005 2.8423 2.8423 5.1686 5.1686 5.6134 5.6134 6.9285 6.9285 7.6060 7.6060 8.1063 8.1063 8.5428 8.5428 9.1021 9.1021 9.1827 9.1827 11.0652 11.0652 k = 0.1346 0.0777-0.0000 ( 5315 PWs) bands (ev): -49.5742 -49.5742 -26.2411 -26.2411 -25.5890 -25.5890 -25.5816 -25.5816 -5.8279 -5.8279 -4.4926 -4.4926 2.8772 2.8772 5.1203 5.1203 5.6191 5.6191 6.7889 6.7889 7.5452 7.5452 8.0740 8.0740 8.5305 8.5305 9.1336 9.1336 9.2145 9.2145 11.0490 11.0490 k = 0.1442 0.0833-0.0000 ( 5319 PWs) bands (ev): -49.5740 -49.5740 -26.2419 -26.2419 -25.5903 -25.5903 -25.5818 -25.5818 -5.7998 -5.7998 -4.4844 -4.4844 2.9144 2.9144 5.0705 5.0705 5.6251 5.6251 6.6472 6.6472 7.4857 7.4857 8.0363 8.0363 8.5176 8.5176 9.1633 9.1633 9.2446 9.2446 11.0387 11.0387 k = 0.1538 0.0888-0.0000 ( 5319 PWs) bands (ev): -49.5739 -49.5739 -26.2426 -26.2426 -25.5918 -25.5918 -25.5819 -25.5819 -5.7701 -5.7701 -4.4757 -4.4757 2.9539 2.9539 5.0193 5.0193 5.6314 5.6314 6.5041 6.5041 7.4275 7.4275 7.9929 7.9929 8.5042 8.5042 9.1917 9.1917 9.2726 9.2726 11.0342 11.0342 k = 0.1635 0.0944-0.0000 ( 5311 PWs) bands (ev): -49.5737 -49.5737 -26.2434 -26.2434 -25.5934 -25.5934 -25.5819 -25.5819 -5.7388 -5.7388 -4.4667 -4.4667 2.9957 2.9957 4.9670 4.9670 5.6379 5.6379 6.3604 6.3604 7.3707 7.3707 7.9439 7.9439 8.4904 8.4904 9.2191 9.2191 9.2983 9.2983 11.0353 11.0353 k = 0.1731 0.0999-0.0000 ( 5307 PWs) bands (ev): -49.5735 -49.5735 -26.2442 -26.2442 -25.5950 -25.5950 -25.5819 -25.5819 -5.7059 -5.7059 -4.4573 -4.4573 3.0397 3.0397 4.9139 4.9139 5.6445 5.6445 6.2166 6.2166 7.3154 7.3154 7.8896 7.8896 8.4763 8.4763 9.2455 9.2455 9.3218 9.3218 11.0419 11.0419 k = 0.1827 0.1055-0.0000 ( 5301 PWs) bands (ev): -49.5733 -49.5733 -26.2450 -26.2450 -25.5967 -25.5967 -25.5819 -25.5819 -5.6715 -5.6715 -4.4477 -4.4477 3.0858 3.0858 4.8599 4.8599 5.6509 5.6509 6.0735 6.0735 7.2615 7.2615 7.8301 7.8301 8.4620 8.4620 9.2711 9.2711 9.3431 9.3431 11.0533 11.0533 k = 0.1923 0.1110-0.0000 ( 5305 PWs) bands (ev): -49.5730 -49.5730 -26.2459 -26.2459 -25.5985 -25.5985 -25.5819 -25.5819 -5.6358 -5.6358 -4.4379 -4.4379 3.1339 3.1339 4.8053 4.8053 5.6571 5.6571 5.9317 5.9317 7.2092 7.2092 7.7660 7.7660 8.4475 8.4475 9.2958 9.2958 9.3624 9.3624 11.0691 11.0691 k = 0.2019 0.1166-0.0000 ( 5297 PWs) bands (ev): -49.5728 -49.5728 -26.2468 -26.2468 -25.6003 -25.6003 -25.5819 -25.5819 -5.5986 -5.5986 -4.4278 -4.4278 3.1840 3.1840 4.7499 4.7499 5.6623 5.6623 5.7924 5.7924 7.1586 7.1586 7.6977 7.6977 8.4329 8.4329 9.3192 9.3192 9.3802 9.3802 11.0886 11.0886 k = 0.2115 0.1221-0.0000 ( 5297 PWs) bands (ev): -49.5726 -49.5726 -26.2477 -26.2477 -25.6021 -25.6021 -25.5819 -25.5819 -5.5602 -5.5602 -4.4176 -4.4176 3.2358 3.2358 4.6937 4.6937 5.6432 5.6432 5.6796 5.6796 7.1095 7.1095 7.6257 7.6257 8.4182 8.4182 9.3407 9.3407 9.3971 9.3971 11.1112 11.1112 k = 0.2212 0.1277-0.0000 ( 5291 PWs) bands (ev): -49.5724 -49.5724 -26.2486 -26.2486 -25.6040 -25.6040 -25.5819 -25.5819 -5.5206 -5.5206 -4.4074 -4.4074 3.2895 3.2895 4.6365 4.6365 5.5164 5.5164 5.6774 5.6774 7.0621 7.0621 7.5507 7.5507 8.4035 8.4035 9.3594 9.3594 9.4144 9.4144 11.1361 11.1361 k = 0.2308 0.1332-0.0000 ( 5294 PWs) bands (ev): -49.5721 -49.5721 -26.2496 -26.2496 -25.6059 -25.6059 -25.5818 -25.5818 -5.4800 -5.4800 -4.3971 -4.3971 3.3446 3.3446 4.5781 4.5781 5.3867 5.3867 5.6817 5.6817 7.0164 7.0164 7.4732 7.4732 8.3888 8.3888 9.3745 9.3745 9.4329 9.4329 11.1626 11.1626 k = 0.2404 0.1388-0.0000 ( 5298 PWs) bands (ev): -49.5719 -49.5719 -26.2506 -26.2506 -25.6078 -25.6078 -25.5818 -25.5818 -5.4383 -5.4383 -4.3868 -4.3868 3.4012 3.4012 4.5178 4.5178 5.2615 5.2615 5.6860 5.6860 6.9723 6.9723 7.3938 7.3938 8.3742 8.3742 9.3857 9.3857 9.4532 9.4532 11.1900 11.1900 k = 0.2500 0.1443-0.0000 ( 5298 PWs) bands (ev): -49.5717 -49.5717 -26.2515 -26.2515 -25.6097 -25.6097 -25.5817 -25.5817 -5.3957 -5.3957 -4.3766 -4.3766 3.4589 3.4589 4.4554 4.4554 5.1422 5.1422 5.6897 5.6897 6.9296 6.9296 7.3132 7.3132 8.3597 8.3597 9.3935 9.3935 9.4748 9.4748 11.2177 11.2177 k = 0.2596 0.1499-0.0000 ( 5294 PWs) bands (ev): -49.5714 -49.5714 -26.2525 -26.2525 -25.6116 -25.6116 -25.5817 -25.5817 -5.3523 -5.3523 -4.3665 -4.3665 3.5174 3.5174 4.3901 4.3901 5.0302 5.0302 5.6928 5.6928 6.8882 6.8882 7.2320 7.2320 8.3454 8.3454 9.3986 9.3986 9.4972 9.4972 11.2450 11.2450 k = 0.2692 0.1554-0.0000 ( 5294 PWs) bands (ev): -49.5712 -49.5712 -26.2535 -26.2535 -25.6135 -25.6135 -25.5816 -25.5816 -5.3083 -5.3083 -4.3567 -4.3567 3.5762 3.5762 4.3217 4.3217 4.9266 4.9266 5.6951 5.6951 6.8475 6.8475 7.1512 7.1512 8.3313 8.3313 9.4017 9.4017 9.5199 9.5199 11.2713 11.2713 k = 0.2788 0.1610-0.0000 ( 5290 PWs) bands (ev): -49.5710 -49.5710 -26.2545 -26.2545 -25.6153 -25.6153 -25.5816 -25.5816 -5.2636 -5.2636 -4.3471 -4.3471 3.6344 3.6344 4.2505 4.2505 4.8322 4.8322 5.6967 5.6967 6.8070 6.8070 7.0719 7.0719 8.3175 8.3175 9.4032 9.4032 9.5425 9.5425 11.2961 11.2961 k = 0.2885 0.1665-0.0000 ( 5286 PWs) bands (ev): -49.5707 -49.5707 -26.2554 -26.2554 -25.6172 -25.6172 -25.5815 -25.5815 -5.2186 -5.2186 -4.3379 -4.3379 3.6901 3.6901 4.1779 4.1779 4.7477 4.7477 5.6974 5.6974 6.7651 6.7651 6.9958 6.9958 8.3040 8.3040 9.4035 9.4035 9.5648 9.5648 11.3189 11.3189 k = 0.2981 0.1721-0.0000 ( 5270 PWs) bands (ev): -49.5705 -49.5705 -26.2564 -26.2564 -25.6190 -25.6190 -25.5814 -25.5814 -5.1732 -5.1732 -4.3291 -4.3291 3.7390 3.7390 4.1084 4.1084 4.6729 4.6729 5.6973 5.6973 6.7200 6.7200 6.9252 6.9252 8.2908 8.2908 9.4028 9.4028 9.5864 9.5864 11.3394 11.3394 k = 0.3077 0.1776-0.0000 ( 5266 PWs) bands (ev): -49.5703 -49.5703 -26.2573 -26.2573 -25.6208 -25.6208 -25.5814 -25.5814 -5.1276 -5.1276 -4.3208 -4.3208 3.7703 3.7703 4.0537 4.0537 4.6074 4.6074 5.6964 5.6964 6.6689 6.6689 6.8631 6.8631 8.2780 8.2780 9.4014 9.4014 9.6074 9.6074 11.3571 11.3571 k = 0.3173 0.1832-0.0000 ( 5270 PWs) bands (ev): -49.5701 -49.5701 -26.2583 -26.2583 -25.6225 -25.6225 -25.5813 -25.5813 -5.0819 -5.0819 -4.3130 -4.3130 3.7638 3.7638 4.0350 4.0350 4.5502 4.5502 5.6947 5.6947 6.6098 6.6098 6.8116 6.8116 8.2657 8.2657 9.3995 9.3995 9.6273 9.6273 11.3720 11.3720 k = 0.3269 0.1887-0.0000 ( 5274 PWs) bands (ev): -49.5699 -49.5699 -26.2592 -26.2592 -25.6242 -25.6242 -25.5812 -25.5812 -5.0364 -5.0364 -4.3060 -4.3060 3.7145 3.7145 4.0582 4.0582 4.5005 4.5005 5.6922 5.6922 6.5433 6.5433 6.7705 6.7705 8.2537 8.2537 9.3973 9.3973 9.6462 9.6462 11.3837 11.3837 k = 0.3365 0.1943-0.0000 ( 5274 PWs) bands (ev): -49.5697 -49.5697 -26.2601 -26.2601 -25.6258 -25.6258 -25.5812 -25.5812 -4.9910 -4.9910 -4.2996 -4.2996 3.6419 3.6419 4.1046 4.1046 4.4577 4.4577 5.6889 5.6889 6.4714 6.4714 6.7377 6.7377 8.2422 8.2422 9.3948 9.3948 9.6638 9.6638 11.3924 11.3924 k = 0.3462 0.1999-0.0000 ( 5278 PWs) bands (ev): -49.5695 -49.5695 -26.2609 -26.2609 -25.6274 -25.6274 -25.5811 -25.5811 -4.9461 -4.9461 -4.2941 -4.2941 3.5608 3.5608 4.1596 4.1596 4.4218 4.4218 5.6851 5.6851 6.3966 6.3966 6.7109 6.7109 8.2313 8.2313 9.3922 9.3922 9.6801 9.6801 11.3979 11.3979 k = 0.3558 0.2054-0.0000 ( 5282 PWs) bands (ev): -49.5693 -49.5693 -26.2618 -26.2618 -25.6289 -25.6289 -25.5811 -25.5811 -4.9016 -4.9016 -4.2895 -4.2895 3.4774 3.4774 4.2149 4.2149 4.3946 4.3946 5.6806 5.6806 6.3204 6.3204 6.6887 6.6887 8.2208 8.2208 9.3896 9.3896 9.6948 9.6948 11.4006 11.4006 k = 0.3654 0.2110-0.0000 ( 5288 PWs) bands (ev): -49.5691 -49.5691 -26.2626 -26.2626 -25.6303 -25.6303 -25.5810 -25.5810 -4.8579 -4.8579 -4.2858 -4.2858 3.3949 3.3949 4.2594 4.2594 4.3846 4.3846 5.6756 5.6756 6.2440 6.2440 6.6698 6.6698 8.2109 8.2109 9.3870 9.3870 9.7079 9.7079 11.4005 11.4005 k = 0.3750 0.2165-0.0000 ( 5292 PWs) bands (ev): -49.5689 -49.5689 -26.2633 -26.2633 -25.6317 -25.6317 -25.5809 -25.5809 -4.8149 -4.8149 -4.2833 -4.2833 3.3148 3.3148 4.2747 4.2747 4.4084 4.4084 5.6703 5.6703 6.1681 6.1681 6.6536 6.6536 8.2016 8.2016 9.3846 9.3846 9.7194 9.7194 11.3981 11.3981 k = 0.3846 0.2221-0.0000 ( 5298 PWs) bands (ev): -49.5688 -49.5688 -26.2640 -26.2640 -25.6329 -25.6329 -25.5809 -25.5809 -4.7730 -4.7730 -4.2819 -4.2819 3.2381 3.2381 4.2661 4.2661 4.4600 4.4600 5.6646 5.6646 6.0930 6.0930 6.6398 6.6398 8.1928 8.1928 9.3823 9.3823 9.7292 9.7292 11.3938 11.3938 k = 0.3942 0.2276-0.0000 ( 5302 PWs) bands (ev): -49.5686 -49.5686 -26.2647 -26.2647 -25.6341 -25.6341 -25.5808 -25.5808 -4.7321 -4.7321 -4.2819 -4.2819 3.1657 3.1657 4.2506 4.2506 4.5215 4.5215 5.6586 5.6586 6.0191 6.0191 6.6278 6.6278 8.1847 8.1847 9.3801 9.3801 9.7372 9.7372 11.3880 11.3880 k = 0.4038 0.2332-0.0000 ( 5298 PWs) bands (ev): -49.5685 -49.5685 -26.2653 -26.2653 -25.6352 -25.6352 -25.5808 -25.5808 -4.6926 -4.6926 -4.2831 -4.2831 3.0980 3.0980 4.2343 4.2343 4.5864 4.5864 5.6522 5.6522 5.9467 5.9467 6.6176 6.6176 8.1772 8.1772 9.3782 9.3782 9.7437 9.7437 11.3813 11.3813 k = 0.4135 0.2387-0.0000 ( 5298 PWs) bands (ev): -49.5684 -49.5684 -26.2659 -26.2659 -25.6362 -25.6362 -25.5807 -25.5807 -4.6544 -4.6544 -4.2859 -4.2859 3.0356 3.0356 4.2191 4.2191 4.6524 4.6524 5.6454 5.6454 5.8763 5.8763 6.6089 6.6089 8.1704 8.1704 9.3764 9.3764 9.7486 9.7486 11.3739 11.3739 k = 0.4231 0.2443-0.0000 ( 5292 PWs) bands (ev): -49.5683 -49.5683 -26.2664 -26.2664 -25.6371 -25.6371 -25.5807 -25.5807 -4.6177 -4.6177 -4.2901 -4.2901 2.9787 2.9787 4.2054 4.2054 4.7187 4.7187 5.6374 5.6374 5.8084 5.8084 6.6014 6.6014 8.1642 8.1642 9.3749 9.3749 9.7521 9.7521 11.3664 11.3664 k = 0.4327 0.2498-0.0000 ( 5276 PWs) bands (ev): -49.5682 -49.5682 -26.2669 -26.2669 -25.6379 -25.6379 -25.5807 -25.5807 -4.5827 -4.5827 -4.2960 -4.2960 2.9279 2.9279 4.1933 4.1933 4.7849 4.7849 5.6264 5.6264 5.7452 5.7452 6.5952 6.5952 8.1587 8.1587 9.3736 9.3736 9.7545 9.7545 11.3591 11.3591 k = 0.4423 0.2554-0.0000 ( 5272 PWs) bands (ev): -49.5681 -49.5681 -26.2673 -26.2673 -25.6386 -25.6386 -25.5806 -25.5806 -4.5495 -4.5495 -4.3036 -4.3036 2.8833 2.8833 4.1830 4.1830 4.8508 4.8508 5.6060 5.6060 5.6931 5.6931 6.5900 6.5900 8.1540 8.1540 9.3724 9.3724 9.7558 9.7558 11.3524 11.3524 k = 0.4519 0.2609-0.0000 ( 5262 PWs) bands (ev): -49.5680 -49.5680 -26.2676 -26.2676 -25.6392 -25.6392 -25.5806 -25.5806 -4.5181 -4.5181 -4.3130 -4.3130 2.8451 2.8451 4.1743 4.1743 4.9160 4.9160 5.5660 5.5660 5.6625 5.6625 6.5858 6.5858 8.1499 8.1499 9.3715 9.3715 9.7564 9.7564 11.3463 11.3463 k = 0.4615 0.2665-0.0000 ( 5260 PWs) bands (ev): -49.5679 -49.5679 -26.2679 -26.2679 -25.6397 -25.6397 -25.5806 -25.5806 -4.4887 -4.4887 -4.3242 -4.3242 2.8136 2.8136 4.1674 4.1674 4.9804 4.9804 5.5109 5.5109 5.6489 5.6489 6.5824 6.5824 8.1465 8.1465 9.3708 9.3708 9.7565 9.7565 11.3412 11.3412 k = 0.4712 0.2720-0.0000 ( 5258 PWs) bands (ev): -49.5679 -49.5679 -26.2681 -26.2681 -25.6401 -25.6401 -25.5805 -25.5805 -4.4614 -4.4614 -4.3372 -4.3372 2.7890 2.7890 4.1620 4.1620 5.0435 5.0435 5.4513 5.4513 5.6421 5.6421 6.5799 6.5799 8.1439 8.1439 9.3702 9.3702 9.7563 9.7563 11.3371 11.3371 k = 0.4808 0.2776-0.0000 ( 5258 PWs) bands (ev): -49.5678 -49.5678 -26.2683 -26.2683 -25.6403 -25.6403 -25.5805 -25.5805 -4.4363 -4.4363 -4.3520 -4.3520 2.7713 2.7713 4.1582 4.1582 5.1040 5.1040 5.3923 5.3923 5.6383 5.6383 6.5781 6.5781 8.1420 8.1420 9.3698 9.3698 9.7561 9.7561 11.3341 11.3341 k = 0.4904 0.2831-0.0000 ( 5254 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6405 -25.6405 -25.5805 -25.5805 -4.4140 -4.4140 -4.3680 -4.3680 2.7606 2.7606 4.1559 4.1559 5.1576 5.1576 5.3393 5.3393 5.6362 5.6362 6.5770 6.5770 8.1409 8.1409 9.3696 9.3696 9.7558 9.7558 11.3323 11.3323 k = 0.5000 0.2887-0.0000 ( 5246 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4007 -4.4007 -4.3793 -4.3793 2.7570 2.7570 4.1551 4.1551 5.1847 5.1847 5.3124 5.3124 5.6356 5.6356 6.5767 6.5767 8.1405 8.1405 9.3695 9.3695 9.7557 9.7557 11.3317 11.3317 k = 0.5000 0.2887-0.0000 ( 5246 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4007 -4.4007 -4.3793 -4.3793 2.7570 2.7570 4.1551 4.1551 5.1847 5.1847 5.3124 5.3124 5.6356 5.6356 6.5767 6.5767 8.1405 8.1405 9.3695 9.3695 9.7557 9.7557 11.3317 11.3317 k = 0.4944 0.2983-0.0000 ( 5248 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4004 -4.4004 -4.3789 -4.3789 2.7583 2.7583 4.1550 4.1550 5.1850 5.1850 5.3107 5.3107 5.6374 5.6374 6.5663 6.5663 8.1482 8.1482 9.3697 9.3697 9.7553 9.7553 11.3310 11.3310 k = 0.4889 0.3079-0.0000 ( 5248 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5806 -25.5806 -4.3997 -4.3997 -4.3777 -4.3777 2.7621 2.7621 4.1544 4.1544 5.1856 5.1856 5.3058 5.3058 5.6426 5.6426 6.5361 6.5361 8.1705 8.1705 9.3703 9.3703 9.7541 9.7541 11.3291 11.3291 k = 0.4833 0.3175-0.0000 ( 5244 PWs) bands (ev): -49.5678 -49.5678 -26.2685 -26.2685 -25.6406 -25.6406 -25.5807 -25.5807 -4.3984 -4.3984 -4.3757 -4.3757 2.7684 2.7684 4.1536 4.1536 5.1865 5.1865 5.2984 5.2984 5.6505 5.6505 6.4879 6.4879 8.2057 8.2057 9.3714 9.3714 9.7522 9.7522 11.3258 11.3258 k = 0.4778 0.3272-0.0000 ( 5260 PWs) bands (ev): -49.5678 -49.5678 -26.2685 -26.2685 -25.6406 -25.6406 -25.5809 -25.5809 -4.3966 -4.3966 -4.3729 -4.3729 2.7773 2.7773 4.1523 4.1523 5.1872 5.1872 5.2895 5.2895 5.6606 5.6606 6.4245 6.4245 8.2510 8.2510 9.3729 9.3729 9.7494 9.7494 11.3211 11.3211 k = 0.4722 0.3368-0.0000 ( 5262 PWs) bands (ev): -49.5678 -49.5678 -26.2686 -26.2686 -25.6405 -25.6405 -25.5811 -25.5811 -4.3944 -4.3944 -4.3694 -4.3694 2.7886 2.7886 4.1506 4.1506 5.1874 5.1874 5.2804 5.2804 5.6717 5.6717 6.3488 6.3488 8.3039 8.3039 9.3749 9.3749 9.7460 9.7460 11.3149 11.3149 k = 0.4667 0.3464-0.0000 ( 5262 PWs) bands (ev): -49.5677 -49.5677 -26.2686 -26.2686 -25.6405 -25.6405 -25.5814 -25.5814 -4.3917 -4.3917 -4.3652 -4.3652 2.8024 2.8024 4.1484 4.1484 5.1861 5.1861 5.2722 5.2722 5.6831 5.6831 6.2638 6.2638 8.3618 8.3618 9.3776 9.3776 9.7419 9.7419 11.3070 11.3070 k = 0.4611 0.3560-0.0000 ( 5262 PWs) bands (ev): -49.5677 -49.5677 -26.2687 -26.2687 -25.6405 -25.6405 -25.5816 -25.5816 -4.3885 -4.3885 -4.3603 -4.3603 2.8187 2.8187 4.1457 4.1457 5.1826 5.1826 5.2663 5.2663 5.6936 5.6936 6.1724 6.1724 8.4226 8.4226 9.3809 9.3809 9.7372 9.7372 11.2972 11.2972 k = 0.4556 0.3657-0.0000 ( 5264 PWs) bands (ev): -49.5677 -49.5677 -26.2688 -26.2688 -25.6405 -25.6405 -25.5820 -25.5820 -4.3849 -4.3849 -4.3547 -4.3547 2.8375 2.8375 4.1424 4.1424 5.1765 5.1765 5.2633 5.2633 5.7021 5.7021 6.0774 6.0774 8.4846 8.4846 9.3849 9.3849 9.7320 9.7320 11.2847 11.2847 k = 0.4500 0.3753-0.0000 ( 5264 PWs) bands (ev): -49.5676 -49.5676 -26.2689 -26.2689 -25.6405 -25.6405 -25.5823 -25.5823 -4.3808 -4.3808 -4.3486 -4.3486 2.8586 2.8586 4.1385 4.1385 5.1681 5.1681 5.2628 5.2628 5.7061 5.7061 5.9829 5.9829 8.5464 8.5464 9.3898 9.3898 9.7265 9.7265 11.2667 11.2667 k = 0.4444 0.3849-0.0000 ( 5260 PWs) bands (ev): -49.5676 -49.5676 -26.2690 -26.2690 -25.6405 -25.6405 -25.5827 -25.5827 -4.3763 -4.3763 -4.3420 -4.3420 2.8822 2.8822 4.1339 4.1339 5.1579 5.1579 5.2637 5.2637 5.7000 5.7000 5.8961 5.8961 8.6069 8.6069 9.3956 9.3956 9.7206 9.7206 11.2319 11.2319 k = 0.4389 0.3945-0.0000 ( 5256 PWs) bands (ev): -49.5676 -49.5676 -26.2691 -26.2691 -25.6405 -25.6405 -25.5831 -25.5831 -4.3715 -4.3715 -4.3349 -4.3349 2.9081 2.9081 4.1285 4.1285 5.1462 5.1462 5.2646 5.2646 5.6709 5.6709 5.8324 5.8324 8.6652 8.6652 9.4025 9.4025 9.7146 9.7146 11.1737 11.1737 k = 0.4333 0.4041-0.0000 ( 5256 PWs) bands (ev): -49.5675 -49.5675 -26.2692 -26.2692 -25.6406 -25.6406 -25.5835 -25.5835 -4.3662 -4.3662 -4.3274 -4.3274 2.9363 2.9363 4.1225 4.1225 5.1326 5.1326 5.2635 5.2635 5.6112 5.6112 5.8023 5.8023 8.7207 8.7207 9.4104 9.4104 9.7086 9.7086 11.1089 11.1089 k = 0.4278 0.4138-0.0000 ( 5256 PWs) bands (ev): -49.5675 -49.5675 -26.2693 -26.2693 -25.6406 -25.6406 -25.5839 -25.5839 -4.3607 -4.3607 -4.3197 -4.3197 2.9668 2.9668 4.1156 4.1156 5.1151 5.1151 5.2575 5.2575 5.5407 5.5407 5.7917 5.7917 8.7728 8.7728 9.4194 9.4194 9.7028 9.7028 11.0448 11.0448 k = 0.4222 0.4234-0.0000 ( 5258 PWs) bands (ev): -49.5674 -49.5674 -26.2695 -26.2695 -25.6406 -25.6406 -25.5843 -25.5843 -4.3548 -4.3548 -4.3117 -4.3117 2.9995 2.9995 4.1080 4.1080 5.0891 5.0891 5.2441 5.2441 5.4804 5.4804 5.7871 5.7871 8.8211 8.8211 9.4297 9.4297 9.6974 9.6974 10.9833 10.9833 k = 0.4167 0.4330-0.0000 ( 5266 PWs) bands (ev): -49.5674 -49.5674 -26.2696 -26.2696 -25.6406 -25.6406 -25.5848 -25.5848 -4.3487 -4.3487 -4.3037 -4.3037 3.0344 3.0344 4.0997 4.0997 5.0471 5.0471 5.2255 5.2255 5.4413 5.4413 5.7836 5.7836 8.8653 8.8653 9.4412 9.4412 9.6926 9.6926 10.9252 10.9252 k = 0.4111 0.4426-0.0000 ( 5272 PWs) bands (ev): -49.5673 -49.5673 -26.2697 -26.2697 -25.6407 -25.6407 -25.5852 -25.5852 -4.3423 -4.3423 -4.2956 -4.2956 3.0713 3.0713 4.0906 4.0906 4.9843 4.9843 5.2098 5.2098 5.4222 5.4222 5.7794 5.7794 8.9052 8.9052 9.4538 9.4538 9.6885 9.6885 10.8712 10.8712 k = 0.4056 0.4523-0.0000 ( 5274 PWs) bands (ev): -49.5673 -49.5673 -26.2699 -26.2699 -25.6407 -25.6407 -25.5856 -25.5856 -4.3357 -4.3357 -4.2876 -4.2876 3.1103 3.1103 4.0809 4.0809 4.9047 4.9047 5.2015 5.2015 5.4157 5.4157 5.7738 5.7738 8.9405 8.9405 9.4677 9.4677 9.6853 9.6853 10.8216 10.8216 k = 0.4000 0.4619-0.0000 ( 5272 PWs) bands (ev): -49.5672 -49.5672 -26.2700 -26.2700 -25.6408 -25.6408 -25.5860 -25.5860 -4.3289 -4.3289 -4.2798 -4.2798 3.1512 3.1512 4.0706 4.0706 4.8156 4.8156 5.1998 5.1998 5.4157 5.4157 5.7665 5.7665 8.9712 8.9712 9.4825 9.4825 9.6832 9.6832 10.7768 10.7768 k = 0.3944 0.4715-0.0000 ( 5254 PWs) bands (ev): -49.5672 -49.5672 -26.2702 -26.2702 -25.6409 -25.6409 -25.5864 -25.5864 -4.3220 -4.3220 -4.2724 -4.2724 3.1940 3.1940 4.0598 4.0598 4.7227 4.7227 5.2031 5.2031 5.4188 5.4188 5.7576 5.7576 8.9974 8.9974 9.4983 9.4983 9.6822 9.6822 10.7371 10.7371 k = 0.3889 0.4811-0.0000 ( 5252 PWs) bands (ev): -49.5671 -49.5671 -26.2703 -26.2703 -25.6410 -25.6410 -25.5867 -25.5867 -4.3150 -4.3150 -4.2654 -4.2654 3.2384 3.2384 4.0484 4.0484 4.6290 4.6290 5.2104 5.2104 5.4232 5.4232 5.7470 5.7470 9.0192 9.0192 9.5147 9.5147 9.6822 9.6822 10.7028 10.7028 k = 0.3833 0.4907-0.0000 ( 5252 PWs) bands (ev): -49.5671 -49.5671 -26.2704 -26.2704 -25.6411 -25.6411 -25.5871 -25.5871 -4.3079 -4.3079 -4.2589 -4.2589 3.2844 3.2844 4.0367 4.0367 4.5368 4.5368 5.2210 5.2210 5.4276 5.4276 5.7349 5.7349 9.0367 9.0367 9.5316 9.5316 9.6831 9.6831 10.6740 10.6740 k = 0.3778 0.5004-0.0000 ( 5260 PWs) bands (ev): -49.5670 -49.5670 -26.2706 -26.2706 -25.6412 -25.6412 -25.5873 -25.5873 -4.3009 -4.3009 -4.2532 -4.2532 3.3318 3.3318 4.0244 4.0244 4.4475 4.4475 5.2342 5.2342 5.4314 5.4314 5.7217 5.7217 9.0505 9.0505 9.5486 9.5486 9.6848 9.6848 10.6510 10.6510 k = 0.3722 0.5100-0.0000 ( 5264 PWs) bands (ev): -49.5670 -49.5670 -26.2707 -26.2707 -25.6412 -25.6412 -25.5876 -25.5876 -4.2938 -4.2938 -4.2483 -4.2483 3.3802 3.3802 4.0115 4.0115 4.3624 4.3624 5.2499 5.2499 5.4341 5.4341 5.7075 5.7075 9.0608 9.0608 9.5655 9.5655 9.6869 9.6869 10.6340 10.6340 k = 0.3667 0.5196-0.0000 ( 5264 PWs) bands (ev): -49.5670 -49.5670 -26.2708 -26.2708 -25.6413 -25.6413 -25.5878 -25.5878 -4.2869 -4.2869 -4.2444 -4.2444 3.4293 3.4293 3.9977 3.9977 4.2829 4.2829 5.2675 5.2675 5.4352 5.4352 5.6927 5.6927 9.0682 9.0682 9.5817 9.5817 9.6890 9.6890 10.6231 10.6231 k = 0.3611 0.5292-0.0000 ( 5272 PWs) bands (ev): -49.5669 -49.5669 -26.2709 -26.2709 -25.6414 -25.6414 -25.5880 -25.5880 -4.2800 -4.2800 -4.2415 -4.2415 3.4785 3.4785 3.9821 3.9821 4.2108 4.2108 5.2867 5.2867 5.4346 5.4346 5.6778 5.6778 9.0732 9.0732 9.5970 9.5970 9.6909 9.6909 10.6185 10.6185 k = 0.3556 0.5389-0.0000 ( 5278 PWs) bands (ev): -49.5669 -49.5669 -26.2710 -26.2710 -25.6415 -25.6415 -25.5882 -25.5882 -4.2733 -4.2733 -4.2399 -4.2399 3.5268 3.5268 3.9637 3.9637 4.1488 4.1488 5.3070 5.3070 5.4319 5.4319 5.6633 5.6633 9.0764 9.0764 9.6110 9.6110 9.6922 9.6922 10.6202 10.6202 k = 0.3500 0.5485-0.0000 ( 5278 PWs) bands (ev): -49.5669 -49.5669 -26.2711 -26.2711 -25.6416 -25.6416 -25.5883 -25.5883 -4.2669 -4.2669 -4.2397 -4.2397 3.5725 3.5725 3.9413 3.9413 4.1001 4.1001 5.3275 5.3275 5.4273 5.4273 5.6499 5.6499 9.0782 9.0782 9.6230 9.6230 9.6926 9.6926 10.6282 10.6282 k = 0.3444 0.5581-0.0000 ( 5282 PWs) bands (ev): -49.5669 -49.5669 -26.2711 -26.2711 -25.6416 -25.6416 -25.5884 -25.5884 -4.2607 -4.2607 -4.2408 -4.2408 3.6124 3.6124 3.9161 3.9161 4.0668 4.0668 5.3470 5.3470 5.4209 5.4209 5.6386 5.6386 9.0790 9.0790 9.6326 9.6326 9.6923 9.6923 10.6424 10.6424 k = 0.3389 0.5677-0.0000 ( 5278 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2550 -4.2550 -4.2434 -4.2434 3.6411 3.6411 3.8950 3.8950 4.0480 4.0480 5.3629 5.3629 5.4142 5.4142 5.6305 5.6305 9.0793 9.0793 9.6391 9.6391 9.6916 9.6916 10.6625 10.6625 k = 0.3333 0.5774-0.0000 ( 5286 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2513 -4.2513 -4.2461 -4.2461 3.6515 3.6515 3.8869 3.8869 4.0419 4.0419 5.3697 5.3697 5.4108 5.4108 5.6274 5.6274 9.0794 9.0794 9.6414 9.6414 9.6912 9.6912 10.6839 10.6839 k = 0.3333 0.5774-0.0000 ( 5286 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2513 -4.2513 -4.2461 -4.2461 3.6515 3.6515 3.8869 3.8869 4.0419 4.0419 5.3697 5.3697 5.4108 5.4108 5.6274 5.6274 9.0794 9.0794 9.6414 9.6414 9.6912 9.6912 10.6839 10.6839 k = 0.3278 0.5677-0.0000 ( 5276 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2556 -4.2556 -4.2428 -4.2428 3.6423 3.6423 3.8934 3.8934 4.0484 4.0484 5.3631 5.3631 5.4134 5.4134 5.6311 5.6311 9.0794 9.0794 9.6390 9.6390 9.6917 9.6917 10.6609 10.6609 k = 0.3222 0.5581-0.0000 ( 5288 PWs) bands (ev): -49.5669 -49.5669 -26.2711 -26.2711 -25.6416 -25.6416 -25.5884 -25.5884 -4.2637 -4.2637 -4.2382 -4.2382 3.6207 3.6207 3.9058 3.9058 4.0692 4.0692 5.3473 5.3473 5.4165 5.4165 5.6429 5.6429 9.0794 9.0794 9.6320 9.6320 9.6932 9.6932 10.6357 10.6357 k = 0.3167 0.5485-0.0000 ( 5280 PWs) bands (ev): -49.5669 -49.5669 -26.2711 -26.2711 -25.6415 -25.6415 -25.5883 -25.5883 -4.2740 -4.2740 -4.2338 -4.2338 3.5947 3.5947 3.9164 3.9164 4.1041 4.1041 5.3262 5.3262 5.4165 5.4165 5.6629 5.6629 9.0794 9.0794 9.6215 9.6215 9.6950 9.6950 10.6128 10.6128 k = 0.3111 0.5389-0.0000 ( 5276 PWs) bands (ev): -49.5669 -49.5669 -26.2710 -26.2710 -25.6414 -25.6414 -25.5882 -25.5882 -4.2863 -4.2863 -4.2298 -4.2298 3.5690 3.5690 3.9234 3.9234 4.1502 4.1502 5.3006 5.3006 5.4136 5.4136 5.6900 5.6900 9.0793 9.0793 9.6084 9.6084 9.6967 9.6967 10.5923 10.5923 k = 0.3056 0.5292-0.0000 ( 5272 PWs) bands (ev): -49.5669 -49.5669 -26.2708 -26.2708 -25.6412 -25.6412 -25.5881 -25.5881 -4.3008 -4.3008 -4.2264 -4.2264 3.5462 3.5462 3.9281 3.9281 4.2035 4.2035 5.2709 5.2709 5.4091 5.4091 5.7228 5.7228 9.0787 9.0787 9.5938 9.5938 9.6979 9.6979 10.5740 10.5740 k = 0.3000 0.5196-0.0000 ( 5280 PWs) bands (ev): -49.5670 -49.5670 -26.2707 -26.2707 -25.6410 -25.6410 -25.5880 -25.5880 -4.3175 -4.3175 -4.2234 -4.2234 3.5277 3.5277 3.9320 3.9320 4.2613 4.2613 5.2372 5.2372 5.4045 5.4045 5.7600 5.7600 9.0773 9.0773 9.5786 9.5786 9.6987 9.6987 10.5579 10.5579 k = 0.2944 0.5100-0.0000 ( 5280 PWs) bands (ev): -49.5670 -49.5670 -26.2705 -26.2705 -25.6407 -25.6407 -25.5878 -25.5878 -4.3364 -4.3364 -4.2210 -4.2210 3.5143 3.5143 3.9358 3.9358 4.3218 4.3218 5.1998 5.1998 5.4009 5.4009 5.8007 5.8007 9.0744 9.0744 9.5640 9.5640 9.6989 9.6989 10.5437 10.5437 k = 0.2889 0.5004-0.0000 ( 5268 PWs) bands (ev): -49.5671 -49.5671 -26.2702 -26.2702 -25.6404 -25.6404 -25.5876 -25.5876 -4.3574 -4.3574 -4.2192 -4.2192 3.5064 3.5064 3.9400 3.9400 4.3840 4.3840 5.1588 5.1588 5.3989 5.3989 5.8443 5.8443 9.0694 9.0694 9.5508 9.5508 9.6986 9.6986 10.5313 10.5313 k = 0.2833 0.4907-0.0000 ( 5266 PWs) bands (ev): -49.5672 -49.5672 -26.2699 -26.2699 -25.6400 -25.6400 -25.5874 -25.5874 -4.3807 -4.3807 -4.2180 -4.2180 3.5043 3.5043 3.9451 3.9451 4.4468 4.4468 5.1146 5.1146 5.3991 5.3991 5.8903 5.8903 9.0618 9.0618 9.5400 9.5400 9.6978 9.6978 10.5205 10.5205 k = 0.2778 0.4811-0.0000 ( 5266 PWs) bands (ev): -49.5673 -49.5673 -26.2696 -26.2696 -25.6395 -25.6395 -25.5872 -25.5872 -4.4061 -4.4061 -4.2175 -4.2175 3.5081 3.5081 3.9512 3.9512 4.5097 4.5097 5.0677 5.0677 5.4019 5.4019 5.9385 5.9385 9.0511 9.0511 9.5323 9.5323 9.6965 9.6965 10.5110 10.5110 k = 0.2722 0.4715-0.0000 ( 5278 PWs) bands (ev): -49.5674 -49.5674 -26.2693 -26.2693 -25.6390 -25.6390 -25.5870 -25.5870 -4.4336 -4.4336 -4.2175 -4.2175 3.5180 3.5180 3.9584 3.9584 4.5716 4.5716 5.0190 5.0190 5.4075 5.4075 5.9885 5.9885 9.0370 9.0370 9.5282 9.5282 9.6948 9.6948 10.5026 10.5026 k = 0.2667 0.4619-0.0000 ( 5268 PWs) bands (ev): -49.5675 -49.5675 -26.2689 -26.2689 -25.6384 -25.6384 -25.5868 -25.5868 -4.4631 -4.4631 -4.2182 -4.2182 3.5340 3.5340 3.9669 3.9669 4.6310 4.6310 4.9699 4.9699 5.4162 5.4162 6.0404 6.0404 9.0194 9.0194 9.5278 9.5278 9.6926 9.6926 10.4953 10.4953 k = 0.2611 0.4523-0.0000 ( 5272 PWs) bands (ev): -49.5676 -49.5676 -26.2684 -26.2684 -25.6377 -25.6377 -25.5865 -25.5865 -4.4946 -4.4946 -4.2196 -4.2196 3.5560 3.5560 3.9765 3.9765 4.6839 4.6839 4.9244 4.9244 5.4280 5.4280 6.0938 6.0938 8.9986 8.9986 9.5309 9.5309 9.6900 9.6900 10.4890 10.4890 k = 0.2556 0.4426-0.0000 ( 5274 PWs) bands (ev): -49.5677 -49.5677 -26.2679 -26.2679 -25.6370 -25.6370 -25.5863 -25.5863 -4.5280 -4.5280 -4.2216 -4.2216 3.5840 3.5840 3.9874 3.9874 4.7189 4.7189 4.8941 4.8941 5.4431 5.4431 6.1488 6.1488 8.9752 8.9752 9.5371 9.5371 9.6870 9.6870 10.4837 10.4837 k = 0.2500 0.4330-0.0000 ( 5270 PWs) bands (ev): -49.5678 -49.5678 -26.2674 -26.2674 -25.6362 -25.6362 -25.5861 -25.5861 -4.5632 -4.5632 -4.2243 -4.2243 3.6181 3.6181 3.9997 3.9997 4.7146 4.7146 4.9003 4.9003 5.4617 5.4617 6.2052 6.2052 8.9496 8.9496 9.5457 9.5457 9.6835 9.6835 10.4793 10.4793 k = 0.2444 0.4234-0.0000 ( 5269 PWs) bands (ev): -49.5680 -49.5680 -26.2669 -26.2669 -25.6353 -25.6353 -25.5858 -25.5858 -4.6000 -4.6000 -4.2276 -4.2276 3.6579 3.6579 4.0132 4.0132 4.6749 4.6749 4.9391 4.9391 5.4837 5.4837 6.2629 6.2629 8.9225 8.9225 9.5560 9.5560 9.6796 9.6796 10.4761 10.4761 k = 0.2389 0.4138-0.0000 ( 5275 PWs) bands (ev): -49.5681 -49.5681 -26.2662 -26.2662 -25.6343 -25.6343 -25.5856 -25.5856 -4.6384 -4.6384 -4.2316 -4.2316 3.7035 3.7035 4.0279 4.0279 4.6206 4.6206 4.9902 4.9902 5.5092 5.5092 6.3219 6.3219 8.8945 8.8945 9.5671 9.5671 9.6753 9.6753 10.4741 10.4741 k = 0.2333 0.4041-0.0000 ( 5275 PWs) bands (ev): -49.5683 -49.5683 -26.2656 -26.2656 -25.6333 -25.6333 -25.5854 -25.5854 -4.6783 -4.6783 -4.2362 -4.2362 3.7546 3.7546 4.0437 4.0437 4.5607 4.5607 5.0445 5.0445 5.5382 5.5382 6.3822 6.3822 8.8662 8.8662 9.5782 9.5782 9.6707 9.6707 10.4735 10.4735 k = 0.2278 0.3945-0.0000 ( 5263 PWs) bands (ev): -49.5684 -49.5684 -26.2649 -26.2649 -25.6322 -25.6322 -25.5852 -25.5852 -4.7194 -4.7194 -4.2414 -4.2414 3.8111 3.8111 4.0603 4.0603 4.4985 4.4985 5.0991 5.0991 5.5708 5.5708 6.4435 6.4435 8.8379 8.8379 9.5886 9.5886 9.6659 9.6659 10.4745 10.4745 k = 0.2222 0.3849-0.0000 ( 5261 PWs) bands (ev): -49.5686 -49.5686 -26.2642 -26.2642 -25.6310 -25.6310 -25.5850 -25.5850 -4.7616 -4.7616 -4.2472 -4.2472 3.8727 3.8727 4.0773 4.0773 4.4360 4.4360 5.1528 5.1528 5.6068 5.6068 6.5060 6.5060 8.8103 8.8103 9.5972 9.5972 9.6612 9.6612 10.4775 10.4775 k = 0.2167 0.3753-0.0000 ( 5265 PWs) bands (ev): -49.5688 -49.5688 -26.2634 -26.2634 -25.6298 -25.6298 -25.5847 -25.5847 -4.8049 -4.8049 -4.2536 -4.2536 3.9388 3.9388 4.0933 4.0933 4.3755 4.3755 5.2050 5.2050 5.6463 5.6463 6.5695 6.5695 8.7834 8.7834 9.6031 9.6031 9.6570 9.6570 10.4828 10.4828 k = 0.2111 0.3657-0.0000 ( 5273 PWs) bands (ev): -49.5690 -49.5690 -26.2627 -26.2627 -25.6285 -25.6285 -25.5845 -25.5845 -4.8490 -4.8490 -4.2606 -4.2606 4.0086 4.0086 4.1055 4.1055 4.3212 4.3212 5.2551 5.2551 5.6892 5.6892 6.6339 6.6339 8.7578 8.7578 9.6053 9.6053 9.6538 9.6538 10.4904 10.4904 k = 0.2056 0.3560-0.0000 ( 5273 PWs) bands (ev): -49.5692 -49.5692 -26.2618 -26.2618 -25.6271 -25.6271 -25.5843 -25.5843 -4.8938 -4.8938 -4.2681 -4.2681 4.0758 4.0758 4.1106 4.1106 4.2828 4.2828 5.3030 5.3030 5.7354 5.7354 6.6992 6.6992 8.7337 8.7337 9.6034 9.6034 9.6516 9.6516 10.5008 10.5008 k = 0.2000 0.3464-0.0000 ( 5277 PWs) bands (ev): -49.5694 -49.5694 -26.2610 -26.2610 -25.6257 -25.6257 -25.5842 -25.5842 -4.9392 -4.9392 -4.2760 -4.2760 4.0739 4.0739 4.1599 4.1599 4.2753 4.2753 5.3483 5.3483 5.7849 5.7849 6.7653 6.7653 8.7111 8.7111 9.5978 9.5978 9.6495 9.6495 10.5141 10.5141 k = 0.1944 0.3368-0.0000 ( 5287 PWs) bands (ev): -49.5696 -49.5696 -26.2601 -26.2601 -25.6242 -25.6242 -25.5840 -25.5840 -4.9850 -4.9850 -4.2844 -4.2844 4.0285 4.0285 4.2182 4.2182 4.3085 4.3085 5.3910 5.3910 5.8375 5.8375 6.8321 6.8321 8.6903 8.6903 9.5896 9.5896 9.6464 9.6464 10.5304 10.5304 k = 0.1889 0.3272-0.0000 ( 5283 PWs) bands (ev): -49.5698 -49.5698 -26.2592 -26.2592 -25.6226 -25.6226 -25.5838 -25.5838 -5.0311 -5.0311 -4.2933 -4.2933 3.9709 3.9709 4.2582 4.2582 4.3785 4.3785 5.4310 5.4310 5.8932 5.8932 6.8995 6.8995 8.6714 8.6714 9.5792 9.5792 9.6416 9.6416 10.5498 10.5498 k = 0.1833 0.3175-0.0000 ( 5281 PWs) bands (ev): -49.5700 -49.5700 -26.2583 -26.2583 -25.6210 -25.6210 -25.5837 -25.5837 -5.0774 -5.0774 -4.3025 -4.3025 3.9086 3.9086 4.2915 4.2915 4.4661 4.4661 5.4681 5.4681 5.9518 5.9518 6.9674 6.9674 8.6545 8.6545 9.5672 9.5672 9.6346 9.6346 10.5722 10.5722 k = 0.1778 0.3079-0.0000 ( 5281 PWs) bands (ev): -49.5702 -49.5702 -26.2573 -26.2573 -25.6194 -25.6194 -25.5835 -25.5835 -5.1236 -5.1236 -4.3120 -4.3120 3.8444 3.8444 4.3248 4.3248 4.5616 4.5616 5.5025 5.5025 6.0132 6.0132 7.0358 7.0358 8.6396 8.6396 9.5538 9.5538 9.6253 9.6253 10.5975 10.5975 k = 0.1722 0.2983-0.0000 ( 5293 PWs) bands (ev): -49.5705 -49.5705 -26.2564 -26.2564 -25.6177 -25.6177 -25.5834 -25.5834 -5.1698 -5.1698 -4.3219 -4.3219 3.7797 3.7797 4.3595 4.3595 4.6620 4.6620 5.5342 5.5342 6.0773 6.0773 7.1044 7.1044 8.6266 8.6266 9.5391 9.5391 9.6137 9.6137 10.6256 10.6256 k = 0.1667 0.2887-0.0000 ( 5289 PWs) bands (ev): -49.5707 -49.5707 -26.2554 -26.2554 -25.6160 -25.6160 -25.5833 -25.5833 -5.2156 -5.2156 -4.3320 -4.3320 3.7151 3.7151 4.3958 4.3958 4.7662 4.7662 5.5633 5.5633 6.1439 6.1439 7.1731 7.1731 8.6156 8.6156 9.5232 9.5232 9.5999 9.5999 10.6563 10.6563 k = 0.1611 0.2791-0.0000 ( 5297 PWs) bands (ev): -49.5709 -49.5709 -26.2545 -26.2545 -25.6142 -25.6142 -25.5831 -25.5831 -5.2611 -5.2611 -4.3423 -4.3423 3.6512 3.6512 4.4338 4.4338 4.8733 4.8733 5.5903 5.5903 6.2128 6.2128 7.2418 7.2418 8.6064 8.6064 9.5061 9.5061 9.5840 9.5840 10.6892 10.6892 k = 0.1556 0.2694-0.0000 ( 5297 PWs) bands (ev): -49.5712 -49.5712 -26.2535 -26.2535 -25.6124 -25.6124 -25.5830 -25.5830 -5.3061 -5.3061 -4.3527 -4.3527 3.5881 3.5881 4.4734 4.4734 4.9826 4.9826 5.6158 5.6158 6.2840 6.2840 7.3102 7.3102 8.5990 8.5990 9.4880 9.4880 9.5664 9.5664 10.7243 10.7243 k = 0.1500 0.2598-0.0000 ( 5299 PWs) bands (ev): -49.5714 -49.5714 -26.2525 -26.2525 -25.6106 -25.6106 -25.5829 -25.5829 -5.3504 -5.3504 -4.3633 -4.3633 3.5262 3.5262 4.5144 4.5144 5.0927 5.0927 5.6405 5.6405 6.3572 6.3572 7.3782 7.3782 8.5933 8.5933 9.4687 9.4687 9.5472 9.5472 10.7611 10.7611 k = 0.1444 0.2502-0.0000 ( 5303 PWs) bands (ev): -49.5716 -49.5716 -26.2515 -26.2515 -25.6088 -25.6088 -25.5828 -25.5828 -5.3941 -5.3941 -4.3740 -4.3740 3.4655 3.4655 4.5569 4.5569 5.2021 5.2021 5.6662 5.6662 6.4323 6.4323 7.4456 7.4456 8.5891 8.5891 9.4483 9.4483 9.5266 9.5266 10.7993 10.7993 k = 0.1389 0.2406-0.0000 ( 5307 PWs) bands (ev): -49.5719 -49.5719 -26.2506 -26.2506 -25.6070 -25.6070 -25.5828 -25.5828 -5.4369 -5.4369 -4.3847 -4.3847 3.4063 3.4063 4.6007 4.6007 5.3074 5.3074 5.6961 5.6961 6.5090 6.5090 7.5120 7.5120 8.5863 8.5863 9.4269 9.4269 9.5048 9.5048 10.8388 10.8388 k = 0.1333 0.2309-0.0000 ( 5311 PWs) bands (ev): -49.5721 -49.5721 -26.2496 -26.2496 -25.6052 -25.6052 -25.5827 -25.5827 -5.4787 -5.4787 -4.3954 -4.3954 3.3486 3.3486 4.6457 4.6457 5.4029 5.4029 5.7356 5.7356 6.5873 6.5873 7.5772 7.5772 8.5847 8.5847 9.4044 9.4044 9.4820 9.4820 10.8791 10.8791 k = 0.1278 0.2213-0.0000 ( 5311 PWs) bands (ev): -49.5724 -49.5724 -26.2486 -26.2486 -25.6034 -25.6034 -25.5826 -25.5826 -5.5196 -5.5196 -4.4061 -4.4061 3.2925 3.2925 4.6918 4.6918 5.4805 5.4805 5.7930 5.7930 6.6669 6.6669 7.6408 7.6408 8.5842 8.5842 9.3810 9.3810 9.4583 9.4583 10.9200 10.9200 k = 0.1222 0.2117-0.0000 ( 5321 PWs) bands (ev): -49.5726 -49.5726 -26.2477 -26.2477 -25.6016 -25.6016 -25.5825 -25.5825 -5.5593 -5.5593 -4.4166 -4.4166 3.2383 3.2383 4.7389 4.7389 5.5345 5.5345 5.8738 5.8738 6.7476 6.7476 7.7025 7.7025 8.5846 8.5846 9.3565 9.3565 9.4339 9.4339 10.9611 10.9611 k = 0.1167 0.2021-0.0000 ( 5323 PWs) bands (ev): -49.5728 -49.5728 -26.2468 -26.2468 -25.5998 -25.5998 -25.5825 -25.5825 -5.5978 -5.5978 -4.4270 -4.4270 3.1859 3.1859 4.7867 4.7867 5.5678 5.5678 5.9751 5.9751 6.8292 6.8292 7.7619 7.7619 8.5858 8.5858 9.3311 9.3311 9.4088 9.4088 11.0020 11.0020 k = 0.1111 0.1925-0.0000 ( 5315 PWs) bands (ev): -49.5730 -49.5730 -26.2459 -26.2459 -25.5981 -25.5981 -25.5824 -25.5824 -5.6350 -5.6350 -4.4372 -4.4372 3.1355 3.1355 4.8352 4.8352 5.5875 5.5875 6.0897 6.0897 6.9116 6.9116 7.8186 7.8186 8.5876 8.5876 9.3047 9.3047 9.3831 9.3831 11.0423 11.0423 k = 0.1056 0.1828-0.0000 ( 5319 PWs) bands (ev): -49.5732 -49.5732 -26.2450 -26.2450 -25.5964 -25.5964 -25.5823 -25.5823 -5.6709 -5.6709 -4.4472 -4.4472 3.0870 3.0870 4.8841 4.8841 5.5989 5.5989 6.2120 6.2120 6.9945 6.9945 7.8723 7.8723 8.5899 8.5899 9.2774 9.2774 9.3567 9.3567 11.0812 11.0812 k = 0.1000 0.1732-0.0000 ( 5319 PWs) bands (ev): -49.5735 -49.5735 -26.2442 -26.2442 -25.5947 -25.5947 -25.5823 -25.5823 -5.7054 -5.7054 -4.4570 -4.4570 3.0407 3.0407 4.9333 4.9333 5.6053 5.6053 6.3388 6.3388 7.0779 7.0779 7.9224 7.9224 8.5925 8.5925 9.2492 9.2492 9.3296 9.3296 11.1170 11.1170 k = 0.0944 0.1636-0.0000 ( 5311 PWs) bands (ev): -49.5737 -49.5737 -26.2434 -26.2434 -25.5931 -25.5931 -25.5822 -25.5822 -5.7383 -5.7383 -4.4664 -4.4664 2.9966 2.9966 4.9825 4.9825 5.6084 5.6084 6.4680 6.4680 7.1614 7.1614 7.9687 7.9687 8.5953 8.5953 9.2199 9.2199 9.3019 9.3019 11.1429 11.1429 k = 0.0889 0.1540-0.0000 ( 5311 PWs) bands (ev): -49.5739 -49.5739 -26.2426 -26.2426 -25.5916 -25.5916 -25.5821 -25.5821 -5.7697 -5.7697 -4.4755 -4.4755 2.9546 2.9546 5.0315 5.0315 5.6093 5.6093 6.5985 6.5985 7.2451 7.2451 8.0108 8.0108 8.5983 8.5983 9.1896 9.1896 9.2734 9.2734 11.1454 11.1454 k = 0.0833 0.1443-0.0000 ( 5307 PWs) bands (ev): -49.5740 -49.5740 -26.2419 -26.2419 -25.5902 -25.5902 -25.5820 -25.5820 -5.7995 -5.7995 -4.4842 -4.4842 2.9149 2.9149 5.0799 5.0799 5.6087 5.6087 6.7292 6.7292 7.3286 7.3286 8.0485 8.0485 8.6013 8.6013 9.1580 9.1580 9.2442 9.2442 11.1375 11.1375 k = 0.0778 0.1347-0.0000 ( 5307 PWs) bands (ev): -49.5742 -49.5742 -26.2412 -26.2412 -25.5888 -25.5888 -25.5818 -25.5818 -5.8276 -5.8276 -4.4925 -4.4925 2.8776 2.8776 5.1275 5.1275 5.6071 5.6071 6.8593 6.8593 7.4119 7.4119 8.0817 8.0817 8.6043 8.6043 9.1252 9.1252 9.2141 9.2141 11.1323 11.1323 k = 0.0722 0.1251-0.0000 ( 5303 PWs) bands (ev): -49.5744 -49.5744 -26.2405 -26.2405 -25.5877 -25.5877 -25.5816 -25.5816 -5.8540 -5.8540 -4.5004 -4.5004 2.8427 2.8427 5.1739 5.1739 5.6048 5.6048 6.9879 6.9879 7.4950 7.4950 8.1104 8.1104 8.6072 8.6072 9.0909 9.0909 9.1830 9.1830 11.1330 11.1330 k = 0.0667 0.1155-0.0000 ( 5303 PWs) bands (ev): -49.5746 -49.5746 -26.2399 -26.2399 -25.5866 -25.5866 -25.5812 -25.5812 -5.8786 -5.8786 -4.5078 -4.5078 2.8101 2.8101 5.2187 5.2187 5.6023 5.6023 7.1141 7.1141 7.5776 7.5776 8.1349 8.1349 8.6098 8.6098 9.0550 9.0550 9.1510 9.1510 11.1403 11.1403 k = 0.0611 0.1058-0.0000 ( 5299 PWs) bands (ev): -49.5747 -49.5747 -26.2393 -26.2393 -25.5858 -25.5858 -25.5808 -25.5808 -5.9013 -5.9013 -4.5147 -4.5147 2.7800 2.7800 5.2616 5.2616 5.5998 5.5998 7.2370 7.2370 7.6599 7.6599 8.1555 8.1555 8.6121 8.6121 9.0173 9.0173 9.1180 9.1180 11.1541 11.1541 k = 0.0556 0.0962-0.0000 ( 5305 PWs) bands (ev): -49.5748 -49.5748 -26.2387 -26.2387 -25.5851 -25.5851 -25.5803 -25.5803 -5.9223 -5.9223 -4.5211 -4.5211 2.7525 2.7525 5.3019 5.3019 5.5977 5.5977 7.3555 7.3555 7.7419 7.7419 8.1729 8.1729 8.6141 8.6141 8.9777 8.9777 9.0837 9.0837 11.1739 11.1739 k = 0.0500 0.0866-0.0000 ( 5293 PWs) bands (ev): -49.5750 -49.5750 -26.2383 -26.2383 -25.5847 -25.5847 -25.5797 -25.5797 -5.9413 -5.9413 -4.5270 -4.5270 2.7274 2.7274 5.3391 5.3391 5.5963 5.5963 7.4682 7.4682 7.8237 7.8237 8.1880 8.1880 8.6155 8.6155 8.9363 8.9363 9.0481 9.0481 11.1988 11.1988 k = 0.0444 0.0770-0.0000 ( 5293 PWs) bands (ev): -49.5751 -49.5751 -26.2378 -26.2378 -25.5844 -25.5844 -25.5791 -25.5791 -5.9585 -5.9585 -4.5323 -4.5323 2.7049 2.7049 5.3727 5.3727 5.5959 5.5959 7.5734 7.5734 7.9054 7.9054 8.2020 8.2020 8.6163 8.6163 8.8931 8.8931 9.0109 9.0109 11.2275 11.2275 k = 0.0389 0.0674-0.0000 ( 5289 PWs) bands (ev): -49.5752 -49.5752 -26.2374 -26.2374 -25.5841 -25.5841 -25.5784 -25.5784 -5.9736 -5.9736 -4.5370 -4.5370 2.6850 2.6850 5.4021 5.4021 5.5968 5.5968 7.6695 7.6695 7.9870 7.9870 8.2165 8.2165 8.6161 8.6161 8.8483 8.8483 8.9721 8.9721 11.2583 11.2583 k = 0.0333 0.0577-0.0000 ( 5283 PWs) bands (ev): -49.5753 -49.5753 -26.2371 -26.2371 -25.5840 -25.5840 -25.5779 -25.5779 -5.9868 -5.9868 -4.5412 -4.5412 2.6677 2.6677 5.4268 5.4268 5.5992 5.5992 7.7542 7.7542 8.0685 8.0685 8.2333 8.2333 8.6144 8.6144 8.8024 8.8024 8.9316 8.9316 11.2892 11.2892 k = 0.0278 0.0481-0.0000 ( 5287 PWs) bands (ev): -49.5753 -49.5753 -26.2368 -26.2368 -25.5839 -25.5839 -25.5773 -25.5773 -5.9980 -5.9980 -4.5447 -4.5447 2.6531 2.6531 5.4464 5.4464 5.6032 5.6032 7.8255 7.8255 8.1492 8.1492 8.2549 8.2549 8.6100 8.6100 8.7564 8.7564 8.8896 8.8896 11.3178 11.3178 k = 0.0222 0.0385-0.0000 ( 5293 PWs) bands (ev): -49.5754 -49.5754 -26.2366 -26.2366 -25.5838 -25.5838 -25.5769 -25.5769 -6.0072 -6.0072 -4.5476 -4.5476 2.6410 2.6410 5.4610 5.4610 5.6083 5.6083 7.8818 7.8818 8.2278 8.2278 8.2833 8.2833 8.6005 8.6005 8.7123 8.7123 8.8467 8.8467 11.3424 11.3424 k = 0.0167 0.0289-0.0000 ( 5305 PWs) bands (ev): -49.5755 -49.5755 -26.2364 -26.2364 -25.5837 -25.5837 -25.5765 -25.5765 -6.0144 -6.0144 -4.5498 -4.5498 2.6317 2.6317 5.4713 5.4713 5.6137 5.6137 7.9228 7.9228 8.3011 8.3011 8.3210 8.3210 8.5814 8.5814 8.6737 8.6737 8.8049 8.8049 11.3616 11.3616 k = 0.0111 0.0192-0.0000 ( 5313 PWs) bands (ev): -49.5755 -49.5755 -26.2362 -26.2362 -25.5837 -25.5837 -25.5762 -25.5762 -6.0195 -6.0195 -4.5515 -4.5515 2.6250 2.6250 5.4778 5.4778 5.6185 5.6185 7.9498 7.9498 8.3573 8.3573 8.3759 8.3759 8.5484 8.5484 8.6429 8.6429 8.7682 8.7682 11.3750 11.3750 k = 0.0056 0.0096-0.0000 ( 5313 PWs) bands (ev): -49.5755 -49.5755 -26.2362 -26.2362 -25.5837 -25.5837 -25.5761 -25.5761 -6.0226 -6.0226 -4.5524 -4.5524 2.6210 2.6210 5.4814 5.4814 5.6218 5.6218 7.9647 7.9647 8.4059 8.4059 8.4296 8.4296 8.5047 8.5047 8.6172 8.6172 8.7431 8.7431 11.3827 11.3827 k = 0.0000 0.0000 0.0000 ( 5313 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -6.0236 -6.0236 -4.5528 -4.5528 2.6196 2.6196 5.4826 5.4826 5.6230 5.6230 7.9695 7.9695 8.4526 8.4526 8.4534 8.4534 8.4591 8.4591 8.6040 8.6040 8.7344 8.7344 11.3853 11.3853 k = 0.0000 0.0000 0.0000 ( 5313 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -6.0236 -6.0236 -4.5528 -4.5528 2.6196 2.6196 5.4826 5.4826 5.6230 5.6230 7.9695 7.9695 8.4526 8.4526 8.4534 8.4534 8.4591 8.4591 8.6040 8.6040 8.7344 8.7344 11.3853 11.3853 k = 0.0000 0.0000 0.0109 ( 5301 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -6.0228 -6.0228 -4.5542 -4.5542 2.6229 2.6229 5.4828 5.4828 5.6231 5.6231 7.9611 7.9611 8.4409 8.4409 8.4551 8.4551 8.4590 8.4590 8.6033 8.6033 8.7462 8.7462 11.3863 11.3863 k = 0.0000 0.0000 0.0218 ( 5301 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -6.0205 -6.0205 -4.5584 -4.5584 2.6326 2.6326 5.4832 5.4832 5.6236 5.6236 7.9360 7.9360 8.4162 8.4162 8.4552 8.4552 8.4588 8.4588 8.6012 8.6012 8.7768 8.7768 11.3893 11.3893 k = 0.0000 0.0000 0.0327 ( 5295 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -6.0165 -6.0165 -4.5654 -4.5654 2.6488 2.6488 5.4840 5.4840 5.6243 5.6243 7.8940 7.8940 8.3862 8.3862 8.4551 8.4551 8.4584 8.4584 8.5979 8.5979 8.8173 8.8173 11.3943 11.3943 k = 0.0000 0.0000 0.0437 ( 5295 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -6.0110 -6.0110 -4.5752 -4.5752 2.6714 2.6714 5.4851 5.4851 5.6253 5.6253 7.8356 7.8356 8.3569 8.3569 8.4549 8.4549 8.4579 8.4579 8.5933 8.5933 8.8614 8.8614 11.4013 11.4013 k = 0.0000 0.0000 0.0546 ( 5283 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -6.0040 -6.0040 -4.5876 -4.5876 2.7003 2.7003 5.4865 5.4865 5.6266 5.6266 7.7625 7.7625 8.3307 8.3307 8.4546 8.4546 8.4573 8.4573 8.5875 8.5875 8.9058 8.9058 11.4100 11.4100 k = 0.0000 0.0000 0.0655 ( 5277 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.9955 -5.9955 -4.6025 -4.6025 2.7353 2.7353 5.4882 5.4882 5.6282 5.6282 7.6768 7.6768 8.3078 8.3078 8.4542 8.4542 8.4565 8.4565 8.5806 8.5806 8.9487 8.9487 11.4204 11.4204 k = 0.0000 0.0000 0.0764 ( 5288 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.9855 -5.9855 -4.6198 -4.6198 2.7763 2.7763 5.4901 5.4901 5.6299 5.6299 7.5807 7.5807 8.2878 8.2878 8.4537 8.4537 8.4556 8.4556 8.5727 8.5727 8.9892 8.9892 11.4324 11.4324 k = 0.0000 0.0000 0.0873 ( 5300 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.9740 -5.9740 -4.6393 -4.6393 2.8231 2.8231 5.4923 5.4923 5.6319 5.6319 7.4762 7.4762 8.2698 8.2698 8.4531 8.4531 8.4546 8.4546 8.5639 8.5639 9.0269 9.0269 11.4457 11.4457 k = 0.0000 0.0000 0.0982 ( 5300 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.9612 -5.9612 -4.6609 -4.6609 2.8754 2.8754 5.4946 5.4946 5.6341 5.6341 7.3651 7.3651 8.2532 8.2532 8.4524 8.4524 8.4535 8.4535 8.5545 8.5545 9.0615 9.0615 11.4602 11.4602 k = 0.0000 0.0000 0.1091 ( 5300 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.9471 -5.9471 -4.6844 -4.6844 2.9331 2.9331 5.4971 5.4971 5.6364 5.6364 7.2487 7.2487 8.2377 8.2377 8.4517 8.4517 8.4523 8.4523 8.5444 8.5444 9.0931 9.0931 11.4757 11.4757 k = 0.0000 0.0000 0.1200 ( 5306 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.9317 -5.9317 -4.7095 -4.7095 2.9958 2.9958 5.4998 5.4998 5.6389 5.6389 7.1282 7.1282 8.2228 8.2228 8.4509 8.4509 8.4510 8.4510 8.5340 8.5340 9.1217 9.1217 11.4920 11.4920 k = 0.0000 0.0000 0.1310 ( 5312 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.9151 -5.9151 -4.7361 -4.7361 3.0633 3.0633 5.5026 5.5026 5.6414 5.6414 7.0046 7.0046 8.2086 8.2086 8.4496 8.4496 8.4500 8.4500 8.5233 8.5233 9.1475 9.1475 11.5088 11.5088 k = 0.0000 0.0000 0.1419 ( 5330 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.8975 -5.8975 -4.7639 -4.7639 3.1353 3.1353 5.5054 5.5054 5.6441 5.6441 6.8787 6.8787 8.1949 8.1949 8.4481 8.4481 8.4492 8.4492 8.5125 8.5125 9.1707 9.1707 11.5260 11.5260 k = 0.0000 0.0000 0.1528 ( 5342 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.8789 -5.8789 -4.7926 -4.7926 3.2112 3.2112 5.5083 5.5083 5.6467 5.6467 6.7513 6.7513 8.1817 8.1817 8.4464 8.4464 8.4482 8.4482 8.5018 8.5018 9.1914 9.1914 11.5433 11.5433 k = 0.0000 0.0000 0.1637 ( 5318 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.8595 -5.8595 -4.8220 -4.8220 3.2908 3.2908 5.5111 5.5111 5.6494 5.6494 6.6233 6.6233 8.1690 8.1690 8.4446 8.4446 8.4473 8.4473 8.4915 8.4915 9.2098 9.2098 11.5604 11.5604 k = 0.0000 0.0000 0.1746 ( 5324 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.8395 -5.8395 -4.8517 -4.8517 3.3734 3.3734 5.5140 5.5140 5.6520 5.6520 6.4953 6.4953 8.1569 8.1569 8.4426 8.4426 8.4464 8.4464 8.4817 8.4817 9.2260 9.2260 11.5772 11.5772 k = 0.0000 0.0000 0.1855 ( 5336 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.8190 -5.8190 -4.8815 -4.8815 3.4586 3.4586 5.5167 5.5167 5.6545 5.6545 6.3682 6.3682 8.1455 8.1455 8.4402 8.4402 8.4455 8.4455 8.4727 8.4727 9.2403 9.2403 11.5934 11.5934 k = 0.0000 0.0000 0.1964 ( 5348 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.7984 -5.7984 -4.9110 -4.9110 3.5455 3.5455 5.5193 5.5193 5.6569 5.6569 6.2429 6.2429 8.1349 8.1349 8.4372 8.4372 8.4446 8.4446 8.4650 8.4650 9.2528 9.2528 11.6088 11.6088 k = 0.0000 0.0000 0.2074 ( 5348 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.7778 -5.7778 -4.9398 -4.9398 3.6333 3.6333 5.5217 5.5217 5.6591 5.6591 6.1206 6.1206 8.1251 8.1251 8.4334 8.4334 8.4438 8.4438 8.4587 8.4587 9.2637 9.2637 11.6233 11.6233 k = 0.0000 0.0000 0.2183 ( 5342 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.7578 -5.7578 -4.9673 -4.9673 3.7208 3.7208 5.5239 5.5239 5.6612 5.6612 6.0023 6.0023 8.1163 8.1163 8.4289 8.4289 8.4431 8.4431 8.4541 8.4541 9.2729 9.2729 11.6365 11.6365 k = 0.0000 0.0000 0.2292 ( 5348 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.7386 -5.7386 -4.9931 -4.9931 3.8065 3.8065 5.5259 5.5259 5.6631 5.6631 5.8898 5.8898 8.1084 8.1084 8.4240 8.4240 8.4424 8.4424 8.4508 8.4508 9.2808 9.2808 11.6483 11.6483 k = 0.0000 0.0000 0.2401 ( 5336 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.7208 -5.7208 -5.0167 -5.0167 3.8884 3.8884 5.5276 5.5276 5.6647 5.6647 5.7852 5.7852 8.1016 8.1016 8.4192 8.4192 8.4418 8.4418 8.4485 8.4485 9.2872 9.2872 11.6587 11.6587 k = 0.0000 0.0000 0.2510 ( 5324 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.7050 -5.7050 -5.0373 -5.0373 3.9639 3.9639 5.5288 5.5288 5.6661 5.6661 5.6912 5.6912 8.0960 8.0960 8.4149 8.4149 8.4413 8.4413 8.4470 8.4470 9.2925 9.2925 11.6673 11.6673 k = 0.0000 0.0000 0.2619 ( 5324 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.6918 -5.6918 -5.0544 -5.0544 4.0295 4.0295 5.5294 5.5294 5.6115 5.6115 5.6672 5.6672 8.0915 8.0915 8.4113 8.4113 8.4409 8.4409 8.4459 8.4459 9.2964 9.2964 11.6741 11.6741 k = 0.0000 0.0000 0.2728 ( 5324 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.6818 -5.6818 -5.0671 -5.0671 4.0813 4.0813 5.5267 5.5267 5.5527 5.5527 5.6679 5.6679 8.0883 8.0883 8.4087 8.4087 8.4406 8.4406 8.4451 8.4451 9.2993 9.2993 11.6791 11.6791 k = 0.0000 0.0000 0.2837 ( 5324 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.6755 -5.6755 -5.0751 -5.0751 4.1147 4.1147 5.5046 5.5046 5.5357 5.5357 5.6684 5.6684 8.0864 8.0864 8.4070 8.4070 8.4404 8.4404 8.4447 8.4447 9.3009 9.3009 11.6821 11.6821 k = 0.0000 0.0000 0.2947 ( 5312 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.6734 -5.6734 -5.0778 -5.0778 4.1263 4.1263 5.4920 5.4920 5.5347 5.5347 5.6686 5.6686 8.0857 8.0857 8.4065 8.4065 8.4404 8.4404 8.4446 8.4446 9.3015 9.3015 11.6831 11.6831 k = 0.0000 0.0000 0.2947 ( 5312 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.6734 -5.6734 -5.0778 -5.0778 4.1263 4.1263 5.4920 5.4920 5.5347 5.5347 5.6686 5.6686 8.0857 8.0857 8.4065 8.4065 8.4404 8.4404 8.4446 8.4446 9.3015 9.3015 11.6831 11.6831 k = 0.0096 0.0056 0.2947 ( 5314 PWs) bands (ev): -49.5755 -49.5755 -26.2362 -26.2362 -25.5837 -25.5837 -25.5761 -25.5761 -5.6724 -5.6724 -5.0773 -5.0773 4.1273 4.1273 5.4519 5.4519 5.5609 5.5609 5.6823 5.6823 8.0699 8.0699 8.3533 8.3533 8.4555 8.4555 8.4877 8.4877 9.3071 9.3071 11.6788 11.6788 k = 0.0192 0.0111 0.2947 ( 5318 PWs) bands (ev): -49.5755 -49.5755 -26.2363 -26.2363 -25.5838 -25.5838 -25.5762 -25.5762 -5.6694 -5.6694 -5.0757 -5.0757 4.1302 4.1302 5.3904 5.3904 5.5828 5.5828 5.7213 5.7213 8.0269 8.0269 8.2816 8.2816 8.4831 8.4831 8.5429 8.5429 9.3234 9.3234 11.6654 11.6654 k = 0.0288 0.0167 0.2947 ( 5318 PWs) bands (ev): -49.5755 -49.5755 -26.2364 -26.2364 -25.5838 -25.5838 -25.5765 -25.5765 -5.6645 -5.6645 -5.0731 -5.0731 4.1350 4.1350 5.3248 5.3248 5.5934 5.5934 5.7752 5.7752 7.9644 7.9644 8.2063 8.2063 8.5172 8.5172 8.5949 8.5949 9.3494 9.3494 11.6421 11.6421 k = 0.0385 0.0222 0.2947 ( 5324 PWs) bands (ev): -49.5754 -49.5754 -26.2366 -26.2366 -25.5838 -25.5838 -25.5769 -25.5769 -5.6577 -5.6577 -5.0695 -5.0695 4.1417 4.1417 5.2574 5.2574 5.5995 5.5995 5.8348 5.8348 7.8873 7.8873 8.1302 8.1302 8.5498 8.5498 8.6459 8.6459 9.3835 9.3835 11.6077 11.6077 k = 0.0481 0.0278 0.2947 ( 5328 PWs) bands (ev): -49.5753 -49.5753 -26.2368 -26.2368 -25.5839 -25.5839 -25.5773 -25.5773 -5.6489 -5.6489 -5.0648 -5.0648 4.1502 4.1502 5.1892 5.1892 5.6042 5.6042 5.8961 5.8961 7.7985 7.7985 8.0552 8.0552 8.5762 8.5762 8.6979 8.6979 9.4235 9.4235 11.5618 11.5618 k = 0.0577 0.0333 0.2947 ( 5332 PWs) bands (ev): -49.5753 -49.5753 -26.2371 -26.2371 -25.5840 -25.5840 -25.5778 -25.5778 -5.6382 -5.6382 -5.0592 -5.0592 4.1606 4.1606 5.1206 5.1206 5.6084 5.6084 5.9574 5.9574 7.6998 7.6998 7.9823 7.9823 8.5954 8.5954 8.7515 8.7515 9.4676 9.4676 11.5052 11.5052 k = 0.0673 0.0389 0.2947 ( 5328 PWs) bands (ev): -49.5752 -49.5752 -26.2374 -26.2374 -25.5842 -25.5842 -25.5784 -25.5784 -5.6256 -5.6256 -5.0525 -5.0525 4.1726 4.1726 5.0520 5.0520 5.6127 5.6127 6.0178 6.0178 7.5928 7.5928 7.9121 7.9121 8.6081 8.6081 8.8061 8.8061 9.5139 9.5139 11.4397 11.4397 k = 0.0769 0.0444 0.2947 ( 5320 PWs) bands (ev): -49.5751 -49.5751 -26.2378 -26.2378 -25.5844 -25.5844 -25.5791 -25.5791 -5.6111 -5.6111 -5.0449 -5.0449 4.1863 4.1863 4.9836 4.9836 5.6172 5.6172 6.0769 6.0769 7.4791 7.4791 7.8442 7.8442 8.6155 8.6155 8.8609 8.8609 9.5611 9.5611 11.3676 11.3676 k = 0.0865 0.0500 0.2947 ( 5328 PWs) bands (ev): -49.5750 -49.5750 -26.2383 -26.2383 -25.5847 -25.5847 -25.5797 -25.5797 -5.5948 -5.5948 -5.0363 -5.0363 4.2016 4.2016 4.9154 4.9154 5.6218 5.6218 6.1341 6.1341 7.3603 7.3603 7.7787 7.7787 8.6187 8.6187 8.9152 8.9152 9.6079 9.6079 11.2909 11.2909 k = 0.0962 0.0555 0.2947 ( 5328 PWs) bands (ev): -49.5748 -49.5748 -26.2388 -26.2388 -25.5852 -25.5852 -25.5803 -25.5803 -5.5767 -5.5767 -5.0267 -5.0267 4.2182 4.2182 4.8478 4.8478 5.6267 5.6267 6.1891 6.1891 7.2378 7.2378 7.7153 7.7153 8.6184 8.6184 8.9686 8.9686 9.6533 9.6533 11.2117 11.2117 k = 0.1058 0.0611 0.2947 ( 5326 PWs) bands (ev): -49.5747 -49.5747 -26.2393 -26.2393 -25.5859 -25.5859 -25.5808 -25.5808 -5.5568 -5.5568 -5.0163 -5.0163 4.2360 4.2360 4.7808 4.7808 5.6317 5.6317 6.2412 6.2412 7.1126 7.1126 7.6539 7.6539 8.6153 8.6153 9.0205 9.0205 9.6967 9.6967 11.1315 11.1315 k = 0.1154 0.0666 0.2947 ( 5318 PWs) bands (ev): -49.5746 -49.5746 -26.2399 -26.2399 -25.5867 -25.5867 -25.5812 -25.5812 -5.5352 -5.5352 -5.0049 -5.0049 4.2548 4.2548 4.7146 4.7146 5.6368 5.6368 6.2900 6.2900 6.9861 6.9861 7.5944 7.5944 8.6099 8.6099 9.0708 9.0708 9.7374 9.7374 11.0520 11.0520 k = 0.1250 0.0722 0.2947 ( 5326 PWs) bands (ev): -49.5744 -49.5744 -26.2405 -26.2405 -25.5878 -25.5878 -25.5815 -25.5815 -5.5120 -5.5120 -4.9926 -4.9926 4.2742 4.2742 4.6494 4.6494 5.6419 5.6419 6.3344 6.3344 6.8599 6.8599 7.5369 7.5369 8.6025 8.6025 9.1192 9.1192 9.7750 9.7750 10.9746 10.9746 k = 0.1346 0.0777 0.2947 ( 5316 PWs) bands (ev): -49.5742 -49.5742 -26.2412 -26.2412 -25.5890 -25.5890 -25.5817 -25.5817 -5.4871 -5.4871 -4.9795 -4.9795 4.2938 4.2938 4.5856 4.5856 5.6468 5.6468 6.3717 6.3717 6.7370 6.7370 7.4815 7.4815 8.5932 8.5932 9.1653 9.1653 9.8089 9.8089 10.9008 10.9008 k = 0.1442 0.0833 0.2947 ( 5316 PWs) bands (ev): -49.5740 -49.5740 -26.2419 -26.2419 -25.5903 -25.5903 -25.5818 -25.5818 -5.4606 -5.4606 -4.9656 -4.9656 4.3126 4.3126 4.5238 4.5238 5.6516 5.6516 6.3940 6.3940 6.6260 6.6260 7.4283 7.4283 8.5823 8.5823 9.2090 9.2090 9.8385 9.8385 10.8320 10.8320 k = 0.1538 0.0888 0.2947 ( 5312 PWs) bands (ev): -49.5739 -49.5739 -26.2426 -26.2426 -25.5918 -25.5918 -25.5819 -25.5819 -5.4326 -5.4326 -4.9509 -4.9509 4.3282 4.3282 4.4661 4.4661 5.6560 5.6560 6.3725 6.3725 6.5560 6.5560 7.3773 7.3773 8.5697 8.5697 9.2501 9.2501 9.8634 9.8634 10.7696 10.7696 k = 0.1635 0.0944 0.2947 ( 5308 PWs) bands (ev): -49.5737 -49.5737 -26.2434 -26.2434 -25.5934 -25.5934 -25.5819 -25.5819 -5.4032 -5.4032 -4.9354 -4.9354 4.3320 4.3320 4.4208 4.4208 5.6600 5.6600 6.2872 6.2872 6.5478 6.5478 7.3287 7.3287 8.5556 8.5556 9.2884 9.2884 9.8828 9.8828 10.7153 10.7153 k = 0.1731 0.0999 0.2947 ( 5308 PWs) bands (ev): -49.5735 -49.5735 -26.2442 -26.2442 -25.5950 -25.5950 -25.5820 -25.5820 -5.3725 -5.3725 -4.9192 -4.9192 4.3046 4.3046 4.4066 4.4066 5.6632 5.6632 6.1763 6.1763 6.5639 6.5639 7.2827 7.2827 8.5400 8.5400 9.3238 9.3238 9.8962 9.8962 10.6704 10.6704 k = 0.1827 0.1055 0.2947 ( 5300 PWs) bands (ev): -49.5733 -49.5733 -26.2450 -26.2450 -25.5967 -25.5967 -25.5820 -25.5820 -5.3404 -5.3404 -4.9023 -4.9023 4.2549 4.2549 4.4139 4.4139 5.6656 5.6656 6.0613 6.0613 6.5836 6.5836 7.2393 7.2393 8.5228 8.5228 9.3561 9.3561 9.9032 9.9032 10.6362 10.6362 k = 0.1923 0.1110 0.2947 ( 5304 PWs) bands (ev): -49.5730 -49.5730 -26.2459 -26.2459 -25.5985 -25.5985 -25.5820 -25.5820 -5.3072 -5.3072 -4.8848 -4.8848 4.1998 4.1998 4.4249 4.4249 5.6665 5.6665 5.9489 5.9489 6.6018 6.6018 7.1987 7.1987 8.5040 8.5040 9.3853 9.3853 9.9038 9.9038 10.6131 10.6131 k = 0.2019 0.1166 0.2947 ( 5300 PWs) bands (ev): -49.5728 -49.5728 -26.2468 -26.2468 -25.6003 -25.6003 -25.5820 -25.5820 -5.2729 -5.2729 -4.8666 -4.8666 4.1439 4.1439 4.4337 4.4337 5.6647 5.6647 5.8432 5.8432 6.6168 6.6168 7.1610 7.1610 8.4837 8.4837 9.4112 9.4112 9.8986 9.8986 10.6014 10.6014 k = 0.2115 0.1221 0.2947 ( 5292 PWs) bands (ev): -49.5726 -49.5726 -26.2477 -26.2477 -25.6021 -25.6021 -25.5819 -25.5819 -5.2377 -5.2377 -4.8479 -4.8479 4.0884 4.0884 4.4378 4.4378 5.6549 5.6549 5.7517 5.7517 6.6279 6.6279 7.1263 7.1263 8.4619 8.4619 9.4338 9.4338 9.8887 9.8887 10.6003 10.6003 k = 0.2212 0.1277 0.2947 ( 5292 PWs) bands (ev): -49.5724 -49.5724 -26.2487 -26.2487 -25.6040 -25.6040 -25.5819 -25.5819 -5.2015 -5.2015 -4.8286 -4.8286 4.0336 4.0336 4.4350 4.4350 5.6145 5.6145 5.6991 5.6991 6.6350 6.6350 7.0946 7.0946 8.4388 8.4388 9.4532 9.4532 9.8757 9.8757 10.6088 10.6088 k = 0.2308 0.1332 0.2947 ( 5300 PWs) bands (ev): -49.5721 -49.5721 -26.2496 -26.2496 -25.6059 -25.6059 -25.5819 -25.5819 -5.1647 -5.1647 -4.8088 -4.8088 3.9796 3.9796 4.4233 4.4233 5.5464 5.5464 5.6844 5.6844 6.6380 6.6380 7.0659 7.0659 8.4145 8.4145 9.4693 9.4693 9.8608 9.8608 10.6256 10.6256 k = 0.2404 0.1388 0.2947 ( 5296 PWs) bands (ev): -49.5719 -49.5719 -26.2506 -26.2506 -25.6078 -25.6078 -25.5818 -25.5818 -5.1272 -5.1272 -4.7886 -4.7886 3.9267 3.9267 4.4010 4.4010 5.4819 5.4819 5.6780 5.6780 6.6373 6.6373 7.0402 7.0402 8.3893 8.3893 9.4822 9.4822 9.8455 9.8455 10.6494 10.6494 k = 0.2500 0.1443 0.2947 ( 5290 PWs) bands (ev): -49.5717 -49.5717 -26.2515 -26.2515 -25.6097 -25.6097 -25.5818 -25.5818 -5.0893 -5.0893 -4.7678 -4.7678 3.8746 3.8746 4.3672 4.3672 5.4295 5.4295 5.6727 5.6727 6.6330 6.6330 7.0173 7.0173 8.3634 8.3634 9.4921 9.4921 9.8307 9.8307 10.6793 10.6793 k = 0.2596 0.1499 0.2947 ( 5278 PWs) bands (ev): -49.5714 -49.5714 -26.2525 -26.2525 -25.6116 -25.6116 -25.5817 -25.5817 -5.0512 -5.0512 -4.7466 -4.7466 3.8232 3.8232 4.3219 4.3219 5.3903 5.3903 5.6671 5.6671 6.6257 6.6257 6.9973 6.9973 8.3370 8.3370 9.4991 9.4991 9.8169 9.8169 10.7143 10.7143 k = 0.2692 0.1554 0.2947 ( 5288 PWs) bands (ev): -49.5712 -49.5712 -26.2535 -26.2535 -25.6135 -25.6135 -25.5817 -25.5817 -5.0129 -5.0129 -4.7250 -4.7250 3.7725 3.7725 4.2664 4.2664 5.3638 5.3638 5.6608 5.6608 6.6158 6.6158 6.9798 6.9798 8.3104 8.3104 9.5035 9.5035 9.8046 9.8046 10.7539 10.7539 k = 0.2788 0.1610 0.2947 ( 5282 PWs) bands (ev): -49.5710 -49.5710 -26.2545 -26.2545 -25.6153 -25.6153 -25.5816 -25.5816 -4.9748 -4.9748 -4.7029 -4.7029 3.7220 3.7220 4.2027 4.2027 5.3482 5.3482 5.6538 5.6538 6.6041 6.6041 6.9649 6.9649 8.2838 8.2838 9.5053 9.5053 9.7939 9.7939 10.7974 10.7974 k = 0.2885 0.1665 0.2947 ( 5284 PWs) bands (ev): -49.5707 -49.5707 -26.2554 -26.2554 -25.6172 -25.6172 -25.5815 -25.5815 -4.9370 -4.9370 -4.6804 -4.6804 3.6714 3.6714 4.1335 4.1335 5.3410 5.3410 5.6461 5.6461 6.5912 6.5912 6.9523 6.9523 8.2576 8.2576 9.5050 9.5050 9.7848 9.7848 10.8444 10.8444 k = 0.2981 0.1721 0.2947 ( 5284 PWs) bands (ev): -49.5705 -49.5705 -26.2564 -26.2564 -25.6190 -25.6190 -25.5815 -25.5815 -4.8998 -4.8998 -4.6574 -4.6574 3.6202 3.6202 4.0617 4.0617 5.3398 5.3398 5.6377 5.6377 6.5779 6.5779 6.9420 6.9420 8.2318 8.2318 9.5026 9.5026 9.7771 9.7771 10.8946 10.8946 k = 0.3077 0.1776 0.2947 ( 5276 PWs) bands (ev): -49.5703 -49.5703 -26.2574 -26.2574 -25.6208 -25.6208 -25.5814 -25.5814 -4.8635 -4.8635 -4.6339 -4.6339 3.5680 3.5680 3.9896 3.9896 5.3424 5.3424 5.6289 5.6289 6.5647 6.5647 6.9338 6.9338 8.2065 8.2065 9.4986 9.4986 9.7706 9.7706 10.9474 10.9474 k = 0.3173 0.1832 0.2947 ( 5276 PWs) bands (ev): -49.5701 -49.5701 -26.2583 -26.2583 -25.6225 -25.6225 -25.5813 -25.5813 -4.8282 -4.8282 -4.6099 -4.6099 3.5139 3.5139 3.9196 3.9196 5.3468 5.3468 5.6196 5.6196 6.5525 6.5525 6.9277 6.9277 8.1819 8.1819 9.4931 9.4931 9.7652 9.7652 11.0024 11.0024 k = 0.3269 0.1887 0.2947 ( 5288 PWs) bands (ev): -49.5699 -49.5699 -26.2592 -26.2592 -25.6242 -25.6242 -25.5813 -25.5813 -4.7944 -4.7944 -4.5853 -4.5853 3.4577 3.4577 3.8536 3.8536 5.3515 5.3515 5.6101 5.6101 6.5421 6.5421 6.9235 6.9235 8.1580 8.1580 9.4864 9.4864 9.7606 9.7606 11.0588 11.0588 k = 0.3365 0.1943 0.2947 ( 5288 PWs) bands (ev): -49.5697 -49.5697 -26.2601 -26.2601 -25.6258 -25.6258 -25.5812 -25.5812 -4.7622 -4.7622 -4.5602 -4.5602 3.3989 3.3989 3.7929 3.7929 5.3553 5.3553 5.6005 5.6005 6.5340 6.5340 6.9212 6.9212 8.1349 8.1349 9.4787 9.4787 9.7567 9.7567 11.1145 11.1145 k = 0.3462 0.1999 0.2947 ( 5284 PWs) bands (ev): -49.5695 -49.5695 -26.2609 -26.2609 -25.6274 -25.6274 -25.5811 -25.5811 -4.7319 -4.7319 -4.5345 -4.5345 3.3378 3.3378 3.7383 3.7383 5.3574 5.3574 5.5908 5.5908 6.5288 6.5288 6.9204 6.9204 8.1124 8.1124 9.4702 9.4702 9.7534 9.7534 11.1632 11.1632 k = 0.3558 0.2054 0.2947 ( 5294 PWs) bands (ev): -49.5693 -49.5693 -26.2618 -26.2618 -25.6289 -25.6289 -25.5811 -25.5811 -4.7035 -4.7035 -4.5085 -4.5085 3.2749 3.2749 3.6899 3.6899 5.3571 5.3571 5.5809 5.5809 6.5270 6.5270 6.9212 6.9212 8.0906 8.0906 9.4613 9.4613 9.7504 9.7504 11.1922 11.1922 k = 0.3654 0.2110 0.2947 ( 5282 PWs) bands (ev): -49.5691 -49.5691 -26.2626 -26.2626 -25.6303 -25.6303 -25.5810 -25.5810 -4.6773 -4.6773 -4.4821 -4.4821 3.2111 3.2111 3.6474 3.6474 5.3545 5.3545 5.5709 5.5709 6.5286 6.5286 6.9232 6.9232 8.0695 8.0695 9.4520 9.4520 9.7477 9.7477 11.2047 11.2047 k = 0.3750 0.2165 0.2947 ( 5286 PWs) bands (ev): -49.5689 -49.5689 -26.2633 -26.2633 -25.6317 -25.6317 -25.5810 -25.5810 -4.6533 -4.6533 -4.4558 -4.4558 3.1475 3.1475 3.6103 3.6103 5.3494 5.3494 5.5608 5.5608 6.5337 6.5337 6.9264 6.9264 8.0490 8.0490 9.4425 9.4425 9.7452 9.7452 11.2116 11.2116 k = 0.3846 0.2221 0.2947 ( 5274 PWs) bands (ev): -49.5688 -49.5688 -26.2640 -26.2640 -25.6329 -25.6329 -25.5809 -25.5809 -4.6314 -4.6314 -4.4297 -4.4297 3.0851 3.0851 3.5780 3.5780 5.3422 5.3422 5.5504 5.5504 6.5419 6.5419 6.9307 6.9307 8.0291 8.0291 9.4331 9.4331 9.7429 9.7429 11.2169 11.2169 k = 0.3942 0.2276 0.2947 ( 5278 PWs) bands (ev): -49.5686 -49.5686 -26.2647 -26.2647 -25.6341 -25.6341 -25.5809 -25.5809 -4.6116 -4.6116 -4.4042 -4.4042 3.0249 3.0249 3.5499 3.5499 5.3332 5.3332 5.5401 5.5401 6.5530 6.5530 6.9357 6.9357 8.0099 8.0099 9.4239 9.4239 9.7407 9.7407 11.2213 11.2213 k = 0.4038 0.2332 0.2947 ( 5284 PWs) bands (ev): -49.5685 -49.5685 -26.2653 -26.2653 -25.6352 -25.6352 -25.5808 -25.5808 -4.5937 -4.5937 -4.3796 -4.3796 2.9677 2.9677 3.5254 3.5254 5.3229 5.3229 5.5298 5.5298 6.5662 6.5662 6.9415 6.9415 7.9914 7.9914 9.4150 9.4150 9.7386 9.7386 11.2253 11.2253 k = 0.4135 0.2387 0.2947 ( 5280 PWs) bands (ev): -49.5684 -49.5684 -26.2659 -26.2659 -25.6362 -25.6362 -25.5808 -25.5808 -4.5778 -4.5778 -4.3563 -4.3563 2.9142 2.9142 3.5042 3.5042 5.3117 5.3117 5.5197 5.5197 6.5809 6.5809 6.9478 6.9478 7.9737 7.9737 9.4066 9.4066 9.7366 9.7366 11.2290 11.2290 k = 0.4231 0.2443 0.2947 ( 5280 PWs) bands (ev): -49.5683 -49.5683 -26.2664 -26.2664 -25.6371 -25.6371 -25.5807 -25.5807 -4.5636 -4.5636 -4.3345 -4.3345 2.8650 2.8650 3.4859 3.4859 5.3002 5.3002 5.5102 5.5102 6.5964 6.5964 6.9544 6.9544 7.9570 7.9570 9.3988 9.3988 9.7347 9.7347 11.2324 11.2324 k = 0.4327 0.2498 0.2947 ( 5284 PWs) bands (ev): -49.5682 -49.5682 -26.2669 -26.2669 -25.6379 -25.6379 -25.5807 -25.5807 -4.5513 -4.5513 -4.3146 -4.3146 2.8206 2.8206 3.4703 3.4703 5.2888 5.2888 5.5013 5.5013 6.6120 6.6120 6.9611 6.9611 7.9414 7.9414 9.3916 9.3916 9.7329 9.7329 11.2354 11.2354 k = 0.4423 0.2554 0.2947 ( 5276 PWs) bands (ev): -49.5681 -49.5681 -26.2673 -26.2673 -25.6386 -25.6386 -25.5806 -25.5806 -4.5406 -4.5406 -4.2969 -4.2969 2.7814 2.7814 3.4571 3.4571 5.2779 5.2779 5.4932 5.4932 6.6268 6.6268 6.9678 6.9678 7.9270 7.9270 9.3853 9.3853 9.7312 9.7312 11.2381 11.2381 k = 0.4519 0.2609 0.2947 ( 5272 PWs) bands (ev): -49.5680 -49.5680 -26.2676 -26.2676 -25.6392 -25.6392 -25.5806 -25.5806 -4.5317 -4.5317 -4.2815 -4.2815 2.7476 2.7476 3.4463 3.4463 5.2680 5.2680 5.4862 5.4862 6.6404 6.6404 6.9742 6.9742 7.9143 7.9143 9.3798 9.3798 9.7298 9.7298 11.2404 11.2404 k = 0.4615 0.2665 0.2947 ( 5272 PWs) bands (ev): -49.5679 -49.5679 -26.2679 -26.2679 -25.6397 -25.6397 -25.5806 -25.5806 -4.5244 -4.5244 -4.2686 -4.2686 2.7197 2.7197 3.4375 3.4375 5.2593 5.2593 5.4803 5.4803 6.6523 6.6523 6.9800 6.9800 7.9033 7.9033 9.3752 9.3752 9.7286 9.7286 11.2423 11.2423 k = 0.4712 0.2720 0.2947 ( 5266 PWs) bands (ev): -49.5679 -49.5679 -26.2681 -26.2681 -25.6401 -25.6401 -25.5806 -25.5806 -4.5187 -4.5187 -4.2584 -4.2584 2.6977 2.6977 3.4308 3.4308 5.2523 5.2523 5.4756 5.4756 6.6619 6.6619 6.9849 6.9849 7.8945 7.8945 9.3715 9.3715 9.7276 9.7276 11.2439 11.2439 k = 0.4808 0.2776 0.2947 ( 5262 PWs) bands (ev): -49.5678 -49.5678 -26.2683 -26.2683 -25.6403 -25.6403 -25.5806 -25.5806 -4.5147 -4.5147 -4.2511 -4.2511 2.6819 2.6819 3.4261 3.4261 5.2471 5.2471 5.4723 5.4723 6.6690 6.6690 6.9886 6.9886 7.8880 7.8880 9.3689 9.3689 9.7269 9.7269 11.2450 11.2450 k = 0.4904 0.2831 0.2947 ( 5258 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6405 -25.6405 -25.5805 -25.5805 -4.5122 -4.5122 -4.2466 -4.2466 2.6724 2.6724 3.4233 3.4233 5.2439 5.2439 5.4702 5.4702 6.6733 6.6733 6.9909 6.9909 7.8840 7.8840 9.3673 9.3673 9.7264 9.7264 11.2456 11.2456 k = 0.5000 0.2887 0.2947 ( 5264 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5114 -4.5114 -4.2451 -4.2451 2.6692 2.6692 3.4224 3.4224 5.2428 5.2428 5.4695 5.4695 6.6747 6.6747 6.9917 6.9917 7.8826 7.8826 9.3668 9.3668 9.7263 9.7263 11.2458 11.2458 k = 0.5000 0.2887 0.2947 ( 5264 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5114 -4.5114 -4.2451 -4.2451 2.6692 2.6692 3.4224 3.4224 5.2428 5.2428 5.4695 5.4695 6.6747 6.6747 6.9917 6.9917 7.8826 7.8826 9.3668 9.3668 9.7263 9.7263 11.2458 11.2458 k = 0.4944 0.2983 0.2947 ( 5264 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5806 -25.5806 -4.5109 -4.5109 -4.2451 -4.2451 2.6706 2.6706 3.4229 3.4229 5.2426 5.2426 5.4683 5.4683 6.6712 6.6712 6.9828 6.9828 7.8901 7.8901 9.3673 9.3673 9.7256 9.7256 11.2424 11.2424 k = 0.4889 0.3079 0.2947 ( 5264 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5806 -25.5806 -4.5093 -4.5093 -4.2448 -4.2448 2.6748 2.6748 3.4246 3.4246 5.2421 5.2421 5.4648 5.4648 6.6603 6.6603 6.9575 6.9575 7.9116 7.9116 9.3688 9.3688 9.7235 9.7235 11.2323 11.2323 k = 0.4833 0.3175 0.2947 ( 5276 PWs) bands (ev): -49.5678 -49.5678 -26.2685 -26.2685 -25.6406 -25.6406 -25.5808 -25.5808 -4.5067 -4.5067 -4.2444 -4.2444 2.6818 2.6818 3.4274 3.4274 5.2411 5.2411 5.4590 5.4590 6.6412 6.6412 6.9193 6.9193 7.9446 7.9446 9.3714 9.3714 9.7200 9.7200 11.2162 11.2162 k = 0.4778 0.3272 0.2947 ( 5276 PWs) bands (ev): -49.5678 -49.5678 -26.2685 -26.2685 -25.6405 -25.6405 -25.5809 -25.5809 -4.5031 -4.5031 -4.2438 -4.2438 2.6916 2.6916 3.4313 3.4313 5.2394 5.2394 5.4510 5.4510 6.6126 6.6126 6.8732 6.8732 7.9861 7.9861 9.3748 9.3748 9.7151 9.7151 11.1951 11.1951 k = 0.4722 0.3368 0.2947 ( 5276 PWs) bands (ev): -49.5678 -49.5678 -26.2686 -26.2686 -25.6405 -25.6405 -25.5811 -25.5811 -4.4985 -4.4985 -4.2430 -4.2430 2.7043 2.7043 3.4362 3.4362 5.2368 5.2368 5.4411 5.4411 6.5729 6.5729 6.8240 6.8240 8.0332 8.0332 9.3792 9.3792 9.7088 9.7088 11.1704 11.1704 k = 0.4667 0.3464 0.2947 ( 5274 PWs) bands (ev): -49.5677 -49.5677 -26.2686 -26.2686 -25.6405 -25.6405 -25.5814 -25.5814 -4.4929 -4.4929 -4.2421 -4.2421 2.7196 2.7196 3.4421 3.4421 5.2329 5.2329 5.4293 5.4293 6.5211 6.5211 6.7758 6.7758 8.0837 8.0837 9.3844 9.3844 9.7011 9.7011 11.1433 11.1433 k = 0.4611 0.3560 0.2947 ( 5266 PWs) bands (ev): -49.5677 -49.5677 -26.2687 -26.2687 -25.6405 -25.6405 -25.5817 -25.5817 -4.4864 -4.4864 -4.2411 -4.2411 2.7377 2.7377 3.4491 3.4491 5.2274 5.2274 5.4157 5.4157 6.4581 6.4581 6.7304 6.7304 8.1362 8.1362 9.3902 9.3902 9.6921 9.6921 11.1152 11.1152 k = 0.4556 0.3657 0.2947 ( 5270 PWs) bands (ev): -49.5677 -49.5677 -26.2688 -26.2688 -25.6405 -25.6405 -25.5820 -25.5820 -4.4789 -4.4789 -4.2400 -4.2400 2.7585 2.7585 3.4570 3.4570 5.2197 5.2197 5.4006 5.4006 6.3863 6.3863 6.6876 6.6876 8.1896 8.1896 9.3965 9.3965 9.6817 9.6817 11.0873 11.0873 k = 0.4500 0.3753 0.2947 ( 5286 PWs) bands (ev): -49.5676 -49.5676 -26.2689 -26.2689 -25.6405 -25.6405 -25.5823 -25.5823 -4.4706 -4.4706 -4.2388 -4.2388 2.7820 2.7820 3.4658 3.4658 5.2093 5.2093 5.3838 5.3838 6.3092 6.3092 6.6462 6.6462 8.2431 8.2431 9.4030 9.4030 9.6700 9.6700 11.0609 11.0609 k = 0.4444 0.3849 0.2947 ( 5282 PWs) bands (ev): -49.5676 -49.5676 -26.2690 -26.2690 -25.6405 -25.6405 -25.5827 -25.5827 -4.4615 -4.4615 -4.2375 -4.2375 2.8082 2.8082 3.4755 3.4755 5.1957 5.1957 5.3650 5.3650 6.2302 6.2302 6.6053 6.6053 8.2963 8.2963 9.4097 9.4097 9.6569 9.6569 11.0370 11.0370 k = 0.4389 0.3945 0.2947 ( 5278 PWs) bands (ev): -49.5676 -49.5676 -26.2691 -26.2691 -25.6405 -25.6405 -25.5831 -25.5831 -4.4517 -4.4517 -4.2361 -4.2361 2.8369 2.8369 3.4858 3.4858 5.1784 5.1784 5.3435 5.3435 6.1524 6.1524 6.5639 6.5639 8.3489 8.3489 9.4161 9.4161 9.6426 9.6426 11.0164 11.0164 k = 0.4333 0.4041 0.2947 ( 5276 PWs) bands (ev): -49.5675 -49.5675 -26.2692 -26.2692 -25.6406 -25.6406 -25.5835 -25.5835 -4.4412 -4.4412 -4.2348 -4.2348 2.8682 2.8682 3.4969 3.4969 5.1568 5.1568 5.3187 5.3187 6.0788 6.0788 6.5218 6.5218 8.4008 8.4008 9.4220 9.4220 9.6270 9.6270 10.9999 10.9999 k = 0.4278 0.4138 0.2947 ( 5284 PWs) bands (ev): -49.5675 -49.5675 -26.2693 -26.2693 -25.6406 -25.6406 -25.5839 -25.5839 -4.4301 -4.4301 -4.2334 -4.2334 2.9020 2.9020 3.5086 3.5086 5.1302 5.1302 5.2898 5.2898 6.0122 6.0122 6.4789 6.4789 8.4519 8.4519 9.4270 9.4270 9.6103 9.6103 10.9880 10.9880 k = 0.4222 0.4234 0.2947 ( 5292 PWs) bands (ev): -49.5674 -49.5674 -26.2695 -26.2695 -25.6406 -25.6406 -25.5844 -25.5844 -4.4184 -4.4184 -4.2321 -4.2321 2.9381 2.9381 3.5207 3.5207 5.0976 5.0976 5.2568 5.2568 5.9548 5.9548 6.4353 6.4353 8.5022 8.5022 9.4310 9.4310 9.5925 9.5925 10.9814 10.9814 k = 0.4167 0.4330 0.2947 ( 5296 PWs) bands (ev): -49.5674 -49.5674 -26.2696 -26.2696 -25.6406 -25.6406 -25.5848 -25.5848 -4.4063 -4.4063 -4.2308 -4.2308 2.9767 2.9767 3.5331 3.5331 5.0574 5.0574 5.2206 5.2206 5.9079 5.9079 6.3913 6.3913 8.5516 8.5516 9.4337 9.4337 9.5738 9.5738 10.9802 10.9802 k = 0.4111 0.4426 0.2947 ( 5292 PWs) bands (ev): -49.5673 -49.5673 -26.2697 -26.2697 -25.6407 -25.6407 -25.5852 -25.5852 -4.3939 -4.3939 -4.2296 -4.2296 3.0174 3.0174 3.5459 3.5459 5.0081 5.0081 5.1832 5.1832 5.8721 5.8721 6.3470 6.3470 8.6003 8.6003 9.4347 9.4347 9.5541 9.5541 10.9847 10.9847 k = 0.4056 0.4523 0.2947 ( 5296 PWs) bands (ev): -49.5673 -49.5673 -26.2699 -26.2699 -25.6407 -25.6407 -25.5856 -25.5856 -4.3812 -4.3812 -4.2286 -4.2286 3.0604 3.0604 3.5586 3.5586 4.9487 4.9487 5.1470 5.1470 5.8466 5.8466 6.3030 6.3030 8.6481 8.6481 9.4340 9.4340 9.5337 9.5337 10.9948 10.9948 k = 0.4000 0.4619 0.2947 ( 5302 PWs) bands (ev): -49.5672 -49.5672 -26.2700 -26.2700 -25.6408 -25.6408 -25.5860 -25.5860 -4.3683 -4.3683 -4.2277 -4.2277 3.1053 3.1053 3.5714 3.5714 4.8803 4.8803 5.1131 5.1131 5.8301 5.8301 6.2595 6.2595 8.6951 8.6951 9.4315 9.4315 9.5129 9.5129 11.0105 11.0105 k = 0.3944 0.4715 0.2947 ( 5294 PWs) bands (ev): -49.5672 -49.5672 -26.2702 -26.2702 -25.6409 -25.6409 -25.5864 -25.5864 -4.3554 -4.3554 -4.2271 -4.2271 3.1521 3.1521 3.5839 3.5839 4.8047 4.8047 5.0817 5.0817 5.8209 5.8209 6.2170 6.2170 8.7412 8.7412 9.4268 9.4268 9.4918 9.4918 11.0316 11.0316 k = 0.3889 0.4811 0.2947 ( 5288 PWs) bands (ev): -49.5671 -49.5671 -26.2703 -26.2703 -25.6410 -25.6410 -25.5867 -25.5867 -4.3425 -4.3425 -4.2267 -4.2267 3.2005 3.2005 3.5960 3.5960 4.7245 4.7245 5.0527 5.0527 5.8175 5.8175 6.1759 6.1759 8.7863 8.7863 9.4199 9.4199 9.4711 9.4711 11.0577 11.0577 k = 0.3833 0.4907 0.2947 ( 5296 PWs) bands (ev): -49.5671 -49.5671 -26.2704 -26.2704 -25.6411 -25.6411 -25.5871 -25.5871 -4.3298 -4.3298 -4.2266 -4.2266 3.2503 3.2503 3.6076 3.6076 4.6418 4.6418 5.0259 5.0259 5.8186 5.8186 6.1365 6.1365 8.8304 8.8304 9.4101 9.4101 9.4515 9.4515 11.0883 11.0883 k = 0.3778 0.5004 0.2947 ( 5296 PWs) bands (ev): -49.5670 -49.5670 -26.2706 -26.2706 -25.6411 -25.6411 -25.5874 -25.5874 -4.3174 -4.3174 -4.2267 -4.2267 3.3011 3.3011 3.6186 3.6186 4.5584 4.5584 5.0013 5.0013 5.8231 5.8231 6.0993 6.0993 8.8732 8.8732 9.3971 9.3971 9.4340 9.4340 11.1231 11.1231 k = 0.3722 0.5100 0.2947 ( 5296 PWs) bands (ev): -49.5670 -49.5670 -26.2707 -26.2707 -25.6412 -25.6412 -25.5876 -25.5876 -4.3055 -4.3055 -4.2273 -4.2273 3.3524 3.3524 3.6288 3.6288 4.4759 4.4759 4.9789 4.9789 5.8301 5.8301 6.0645 6.0645 8.9144 8.9144 9.3808 9.3808 9.4189 9.4189 11.1615 11.1615 k = 0.3667 0.5196 0.2947 ( 5288 PWs) bands (ev): -49.5670 -49.5670 -26.2708 -26.2708 -25.6413 -25.6413 -25.5879 -25.5879 -4.2941 -4.2941 -4.2283 -4.2283 3.4034 3.4034 3.6384 3.6384 4.3959 4.3959 4.9588 4.9588 5.8388 5.8388 6.0326 6.0326 8.9537 8.9537 9.3627 9.3627 9.4057 9.4057 11.2028 11.2028 k = 0.3611 0.5292 0.2947 ( 5290 PWs) bands (ev): -49.5669 -49.5669 -26.2709 -26.2709 -25.6414 -25.6414 -25.5881 -25.5881 -4.2834 -4.2834 -4.2297 -4.2297 3.4528 3.4528 3.6476 3.6476 4.3199 4.3199 4.9414 4.9414 5.8486 5.8486 6.0038 6.0038 8.9904 8.9904 9.3445 9.3445 9.3934 9.3934 11.2464 11.2464 k = 0.3556 0.5389 0.2947 ( 5286 PWs) bands (ev): -49.5669 -49.5669 -26.2710 -26.2710 -25.6415 -25.6415 -25.5882 -25.5882 -4.2735 -4.2735 -4.2315 -4.2315 3.4986 3.4986 3.6572 3.6572 4.2497 4.2497 4.9267 4.9267 5.8588 5.8588 5.9785 5.9785 9.0236 9.0236 9.3279 9.3279 9.3816 9.3816 11.2917 11.2917 k = 0.3500 0.5485 0.2947 ( 5286 PWs) bands (ev): -49.5669 -49.5669 -26.2711 -26.2711 -25.6416 -25.6416 -25.5883 -25.5883 -4.2647 -4.2647 -4.2339 -4.2339 3.5376 3.5376 3.6682 3.6682 4.1876 4.1876 4.9150 4.9150 5.8689 5.8689 5.9570 5.9570 9.0518 9.0518 9.3144 9.3144 9.3702 9.3702 11.3378 11.3378 k = 0.3444 0.5581 0.2947 ( 5288 PWs) bands (ev): -49.5669 -49.5669 -26.2711 -26.2711 -25.6416 -25.6416 -25.5884 -25.5884 -4.2570 -4.2570 -4.2367 -4.2367 3.5658 3.5658 3.6814 3.6814 4.1373 4.1373 4.9065 4.9065 5.8779 5.8779 5.9402 5.9402 9.0734 9.0734 9.3056 9.3056 9.3596 9.3596 11.3841 11.3841 k = 0.3389 0.5677 0.2947 ( 5280 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2507 -4.2507 -4.2400 -4.2400 3.5813 3.5813 3.6939 3.6939 4.1036 4.1036 4.9014 4.9014 5.8843 5.8843 5.9293 5.9293 9.0865 9.0865 9.3024 9.3024 9.3510 9.3510 11.4291 11.4291 k = 0.3333 0.5774 0.2947 ( 5268 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2473 -4.2473 -4.2423 -4.2423 3.5859 3.5859 3.6994 3.6994 4.0916 4.0916 4.8996 4.8996 5.8865 5.8865 5.9256 5.9256 9.0907 9.0907 9.3025 9.3025 9.3470 9.3470 11.4613 11.4613 k = 0.3333 0.5774 0.2947 ( 5268 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2473 -4.2473 -4.2423 -4.2423 3.5859 3.5859 3.6994 3.6994 4.0916 4.0916 4.8996 4.8996 5.8865 5.8865 5.9256 5.9256 9.0907 9.0907 9.3025 9.3025 9.3470 9.3470 11.4613 11.4613 k = 0.3278 0.5677 0.2947 ( 5278 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2503 -4.2503 -4.2404 -4.2404 3.5820 3.5820 3.6936 3.6936 4.1033 4.1033 4.9014 4.9014 5.8853 5.8853 5.9282 5.9282 9.0872 9.0872 9.3004 9.3004 9.3522 9.3522 11.4297 11.4297 k = 0.3222 0.5581 0.2947 ( 5278 PWs) bands (ev): -49.5669 -49.5669 -26.2711 -26.2711 -25.6416 -25.6416 -25.5884 -25.5884 -4.2556 -4.2556 -4.2385 -4.2385 3.5715 3.5715 3.6786 3.6786 4.1352 4.1352 4.9066 4.9066 5.8841 5.8841 5.9334 5.9334 9.0784 9.0784 9.2938 9.2938 9.3666 9.3666 11.3863 11.3863 k = 0.3167 0.5485 0.2947 ( 5282 PWs) bands (ev): -49.5669 -49.5669 -26.2711 -26.2711 -25.6415 -25.6415 -25.5884 -25.5884 -4.2617 -4.2617 -4.2382 -4.2382 3.5551 3.5551 3.6597 3.6597 4.1814 4.1814 4.9152 4.9152 5.8848 5.8848 5.9390 5.9390 9.0666 9.0666 9.2847 9.2847 9.3859 9.3859 11.3422 11.3422 k = 0.3111 0.5389 0.2947 ( 5296 PWs) bands (ev): -49.5669 -49.5669 -26.2710 -26.2710 -25.6414 -25.6414 -25.5882 -25.5882 -4.2686 -4.2686 -4.2397 -4.2397 3.5342 3.5342 3.6409 3.6409 4.2368 4.2368 4.9272 4.9272 5.8880 5.8880 5.9442 5.9442 9.0532 9.0532 9.2747 9.2747 9.4070 9.4070 11.2984 11.2984 k = 0.3056 0.5292 0.2947 ( 5300 PWs) bands (ev): -49.5669 -49.5669 -26.2708 -26.2708 -25.6412 -25.6412 -25.5881 -25.5881 -4.2763 -4.2763 -4.2430 -4.2430 3.5110 3.5110 3.6239 3.6239 4.2982 4.2982 4.9424 4.9424 5.8936 5.8936 5.9489 5.9489 9.0395 9.0395 9.2644 9.2644 9.4282 9.4282 11.2553 11.2553 k = 0.3000 0.5196 0.2947 ( 5290 PWs) bands (ev): -49.5670 -49.5670 -26.2707 -26.2707 -25.6410 -25.6410 -25.5880 -25.5880 -4.2848 -4.2848 -4.2484 -4.2484 3.4877 3.4877 3.6087 3.6087 4.3633 4.3633 4.9606 4.9606 5.9007 5.9007 5.9536 5.9536 9.0260 9.0260 9.2542 9.2542 9.4486 9.4486 11.2133 11.2133 k = 0.2944 0.5100 0.2947 ( 5286 PWs) bands (ev): -49.5670 -49.5670 -26.2705 -26.2705 -25.6407 -25.6407 -25.5878 -25.5878 -4.2940 -4.2940 -4.2557 -4.2557 3.4663 3.4663 3.5948 3.5948 4.4311 4.4311 4.9818 4.9818 5.9075 5.9075 5.9600 5.9600 9.0133 9.0133 9.2441 9.2441 9.4675 9.4675 11.1728 11.1728 k = 0.2889 0.5004 0.2947 ( 5286 PWs) bands (ev): -49.5671 -49.5671 -26.2702 -26.2702 -25.6404 -25.6404 -25.5876 -25.5876 -4.3041 -4.3041 -4.2652 -4.2652 3.4481 3.4481 3.5822 3.5822 4.5004 4.5004 5.0058 5.0058 5.9111 5.9111 5.9705 5.9705 9.0015 9.0015 9.2343 9.2343 9.4847 9.4847 11.1340 11.1340 k = 0.2833 0.4907 0.2947 ( 5282 PWs) bands (ev): -49.5672 -49.5672 -26.2699 -26.2699 -25.6400 -25.6400 -25.5874 -25.5874 -4.3149 -4.3149 -4.2769 -4.2769 3.4339 3.4339 3.5708 3.5708 4.5707 4.5707 5.0325 5.0325 5.9100 5.9100 5.9865 5.9865 8.9908 8.9908 9.2247 9.2247 9.5001 9.5001 11.0973 11.0973 k = 0.2778 0.4811 0.2947 ( 5278 PWs) bands (ev): -49.5673 -49.5673 -26.2696 -26.2696 -25.6395 -25.6395 -25.5872 -25.5872 -4.3266 -4.3266 -4.2907 -4.2907 3.4245 3.4245 3.5606 3.5606 4.6415 4.6415 5.0617 5.0617 5.9042 5.9042 6.0077 6.0077 8.9813 8.9813 9.2155 9.2155 9.5136 9.5136 11.0627 11.0627 k = 0.2722 0.4715 0.2947 ( 5278 PWs) bands (ev): -49.5674 -49.5674 -26.2693 -26.2693 -25.6390 -25.6390 -25.5870 -25.5870 -4.3390 -4.3390 -4.3066 -4.3066 3.4200 3.4200 3.5518 3.5518 4.7123 4.7123 5.0933 5.0933 5.8946 5.8946 6.0330 6.0330 8.9729 8.9729 9.2067 9.2067 9.5254 9.5254 11.0305 11.0305 k = 0.2667 0.4619 0.2947 ( 5276 PWs) bands (ev): -49.5675 -49.5675 -26.2689 -26.2689 -25.6384 -25.6384 -25.5868 -25.5868 -4.3522 -4.3522 -4.3248 -4.3248 3.4206 3.4206 3.5447 3.5447 4.7828 4.7828 5.1274 5.1274 5.8818 5.8818 6.0617 6.0617 8.9654 8.9654 9.1982 9.1982 9.5357 9.5357 11.0008 11.0008 k = 0.2611 0.4523 0.2947 ( 5272 PWs) bands (ev): -49.5676 -49.5676 -26.2684 -26.2684 -25.6377 -25.6377 -25.5866 -25.5866 -4.3662 -4.3662 -4.3450 -4.3450 3.4265 3.4265 3.5393 3.5393 4.8527 4.8527 5.1637 5.1637 5.8661 5.8661 6.0932 6.0932 8.9587 8.9587 9.1900 9.1900 9.5450 9.5450 10.9737 10.9737 k = 0.2556 0.4426 0.2947 ( 5276 PWs) bands (ev): -49.5677 -49.5677 -26.2679 -26.2679 -25.6370 -25.6370 -25.5863 -25.5863 -4.3810 -4.3810 -4.3672 -4.3672 3.4374 3.4374 3.5361 3.5361 4.9215 4.9215 5.2022 5.2022 5.8477 5.8477 6.1271 6.1271 8.9525 8.9525 9.1823 9.1823 9.5536 9.5536 10.9491 10.9491 k = 0.2500 0.4330 0.2947 ( 5278 PWs) bands (ev): -49.5678 -49.5678 -26.2674 -26.2674 -25.6362 -25.6362 -25.5861 -25.5861 -4.3969 -4.3969 -4.3911 -4.3911 3.4531 3.4531 3.5356 3.5356 4.9891 4.9891 5.2428 5.2428 5.8270 5.8270 6.1630 6.1630 8.9466 8.9466 9.1750 9.1750 9.5622 9.5622 10.9269 10.9269 k = 0.2444 0.4234 0.2947 ( 5282 PWs) bands (ev): -49.5680 -49.5680 -26.2669 -26.2669 -25.6353 -25.6353 -25.5859 -25.5859 -4.4188 -4.4188 -4.4115 -4.4115 3.4727 3.4727 3.5387 3.5387 5.0551 5.0551 5.2856 5.2856 5.8042 5.8042 6.2006 6.2006 8.9406 8.9406 9.1682 9.1682 9.5712 9.5712 10.9071 10.9071 k = 0.2389 0.4138 0.2947 ( 5290 PWs) bands (ev): -49.5681 -49.5681 -26.2663 -26.2663 -25.6343 -25.6343 -25.5856 -25.5856 -4.4466 -4.4466 -4.4286 -4.4286 3.4938 3.4938 3.5476 3.5476 5.1191 5.1191 5.3303 5.3303 5.7796 5.7796 6.2395 6.2395 8.9343 8.9343 9.1619 9.1619 9.5813 9.5813 10.8896 10.8896 k = 0.2333 0.4041 0.2947 ( 5282 PWs) bands (ev): -49.5683 -49.5683 -26.2656 -26.2656 -25.6333 -25.6333 -25.5854 -25.5854 -4.4764 -4.4764 -4.4461 -4.4461 3.5125 3.5125 3.5663 3.5663 5.1809 5.1809 5.3770 5.3770 5.7536 5.7536 6.2794 6.2794 8.9274 8.9274 9.1562 9.1562 9.5930 9.5930 10.8742 10.8742 k = 0.2278 0.3945 0.2947 ( 5270 PWs) bands (ev): -49.5684 -49.5684 -26.2649 -26.2649 -25.6322 -25.6322 -25.5852 -25.5852 -4.5079 -4.5079 -4.4641 -4.4641 3.5269 3.5269 3.5967 3.5967 5.2400 5.2400 5.4255 5.4255 5.7269 5.7269 6.3199 6.3199 8.9197 8.9197 9.1511 9.1511 9.6067 9.6067 10.8607 10.8607 k = 0.2222 0.3849 0.2947 ( 5278 PWs) bands (ev): -49.5686 -49.5686 -26.2642 -26.2642 -25.6310 -25.6310 -25.5850 -25.5850 -4.5410 -4.5410 -4.4826 -4.4826 3.5395 3.5395 3.6358 3.6358 5.2957 5.2957 5.4756 5.4756 5.7001 5.7001 6.3607 6.3607 8.9111 8.9111 9.1468 9.1468 9.6228 9.6228 10.8491 10.8491 k = 0.2167 0.3753 0.2947 ( 5274 PWs) bands (ev): -49.5688 -49.5688 -26.2634 -26.2634 -25.6298 -25.6298 -25.5848 -25.5848 -4.5754 -4.5754 -4.5016 -4.5016 3.5528 3.5528 3.6813 3.6813 5.3471 5.3471 5.5270 5.5270 5.6749 5.6749 6.4013 6.4013 8.9017 8.9017 9.1433 9.1433 9.6414 9.6414 10.8393 10.8393 k = 0.2111 0.3657 0.2947 ( 5274 PWs) bands (ev): -49.5690 -49.5690 -26.2627 -26.2627 -25.6285 -25.6285 -25.5846 -25.5846 -4.6111 -4.6111 -4.5211 -4.5211 3.5676 3.5676 3.7317 3.7317 5.3924 5.3924 5.5781 5.5781 5.6546 5.6546 6.4415 6.4415 8.8914 8.8914 9.1409 9.1409 9.6626 9.6626 10.8311 10.8311 k = 0.2056 0.3560 0.2947 ( 5280 PWs) bands (ev): -49.5692 -49.5692 -26.2618 -26.2618 -25.6271 -25.6271 -25.5844 -25.5844 -4.6478 -4.6478 -4.5409 -4.5409 3.5845 3.5845 3.7863 3.7863 5.4280 5.4280 5.6151 5.6151 5.6569 5.6569 6.4808 6.4808 8.8804 8.8804 9.1396 9.1396 9.6862 9.6862 10.8247 10.8247 k = 0.2000 0.3464 0.2947 ( 5272 PWs) bands (ev): -49.5694 -49.5694 -26.2610 -26.2610 -25.6257 -25.6257 -25.5842 -25.5842 -4.6856 -4.6856 -4.5611 -4.5611 3.6036 3.6036 3.8444 3.8444 5.4486 5.4486 5.6223 5.6223 5.7031 5.7031 6.5188 6.5188 8.8688 8.8688 9.1395 9.1395 9.7121 9.7121 10.8199 10.8199 k = 0.1944 0.3368 0.2947 ( 5268 PWs) bands (ev): -49.5696 -49.5696 -26.2601 -26.2601 -25.6242 -25.6242 -25.5840 -25.5840 -4.7242 -4.7242 -4.5816 -4.5816 3.6251 3.6251 3.9052 3.9052 5.4510 5.4510 5.6363 5.6363 5.7603 5.7603 6.5551 6.5551 8.8570 8.8570 9.1409 9.1409 9.7398 9.7398 10.8171 10.8171 k = 0.1889 0.3272 0.2947 ( 5276 PWs) bands (ev): -49.5698 -49.5698 -26.2592 -26.2592 -25.6226 -25.6226 -25.5839 -25.5839 -4.7634 -4.7634 -4.6023 -4.6023 3.6490 3.6490 3.9682 3.9682 5.4397 5.4397 5.6609 5.6609 5.8207 5.8207 6.5894 6.5894 8.8451 8.8451 9.1438 9.1438 9.7688 9.7688 10.8162 10.8162 k = 0.1833 0.3175 0.2947 ( 5280 PWs) bands (ev): -49.5700 -49.5700 -26.2583 -26.2583 -25.6210 -25.6210 -25.5837 -25.5837 -4.8031 -4.8031 -4.6232 -4.6232 3.6752 3.6752 4.0323 4.0323 5.4219 5.4219 5.6906 5.6906 5.8832 5.8832 6.6212 6.6212 8.8333 8.8333 9.1483 9.1483 9.7987 9.7987 10.8175 10.8175 k = 0.1778 0.3079 0.2947 ( 5276 PWs) bands (ev): -49.5702 -49.5702 -26.2574 -26.2574 -25.6194 -25.6194 -25.5836 -25.5836 -4.8433 -4.8433 -4.6442 -4.6442 3.7039 3.7039 4.0967 4.0967 5.4028 5.4028 5.7217 5.7217 5.9474 5.9474 6.6501 6.6501 8.8218 8.8218 9.1545 9.1545 9.8286 9.8286 10.8213 10.8213 k = 0.1722 0.2983 0.2947 ( 5264 PWs) bands (ev): -49.5705 -49.5705 -26.2564 -26.2564 -25.6177 -25.6177 -25.5834 -25.5834 -4.8836 -4.8836 -4.6653 -4.6653 3.7349 3.7349 4.1600 4.1600 5.3853 5.3853 5.7523 5.7523 6.0132 6.0132 6.6760 6.6760 8.8108 8.8108 9.1623 9.1623 9.8580 9.8580 10.8276 10.8276 k = 0.1667 0.2887 0.2947 ( 5276 PWs) bands (ev): -49.5707 -49.5707 -26.2554 -26.2554 -25.6160 -25.6160 -25.5833 -25.5833 -4.9241 -4.9241 -4.6863 -4.6863 3.7683 3.7683 4.2207 4.2207 5.3715 5.3715 5.7820 5.7820 6.0804 6.0804 6.6984 6.6984 8.8004 8.8004 9.1717 9.1717 9.8859 9.8859 10.8354 10.8354 k = 0.1611 0.2791 0.2947 ( 5284 PWs) bands (ev): -49.5709 -49.5709 -26.2545 -26.2545 -25.6142 -25.6142 -25.5832 -25.5832 -4.9645 -4.9645 -4.7073 -4.7073 3.8040 3.8040 4.2773 4.2773 5.3632 5.3632 5.8107 5.8107 6.1488 6.1488 6.7172 6.7172 8.7906 8.7906 9.1825 9.1825 9.9118 9.9118 10.8274 10.8274 k = 0.1556 0.2694 0.2947 ( 5274 PWs) bands (ev): -49.5712 -49.5712 -26.2535 -26.2535 -25.6124 -25.6124 -25.5831 -25.5831 -5.0048 -5.0048 -4.7283 -4.7283 3.8420 3.8420 4.3279 4.3279 5.3620 5.3620 5.8387 5.8387 6.2181 6.2181 6.7324 6.7324 8.7816 8.7816 9.1943 9.1943 9.9347 9.9347 10.7912 10.7912 k = 0.1500 0.2598 0.2947 ( 5282 PWs) bands (ev): -49.5714 -49.5714 -26.2525 -26.2525 -25.6106 -25.6106 -25.5830 -25.5830 -5.0447 -5.0447 -4.7490 -4.7490 3.8822 3.8822 4.3709 4.3709 5.3689 5.3689 5.8667 5.8667 6.2879 6.2879 6.7440 6.7440 8.7734 8.7734 9.2066 9.2066 9.9541 9.9541 10.7549 10.7549 k = 0.1444 0.2502 0.2947 ( 5286 PWs) bands (ev): -49.5716 -49.5716 -26.2515 -26.2515 -25.6088 -25.6088 -25.5829 -25.5829 -5.0842 -5.0842 -4.7695 -4.7695 3.9245 3.9245 4.4048 4.4048 5.3844 5.3844 5.8958 5.8958 6.3576 6.3576 6.7524 6.7524 8.7658 8.7658 9.2189 9.2189 9.9694 9.9694 10.7227 10.7227 k = 0.1389 0.2406 0.2947 ( 5286 PWs) bands (ev): -49.5719 -49.5719 -26.2506 -26.2506 -25.6070 -25.6070 -25.5828 -25.5828 -5.1232 -5.1232 -4.7897 -4.7897 3.9688 3.9688 4.4291 4.4291 5.4080 5.4080 5.9273 5.9273 6.4261 6.4261 6.7585 6.7585 8.7590 8.7590 9.2304 9.2304 9.9803 9.9803 10.6959 10.6959 k = 0.1333 0.2309 0.2947 ( 5294 PWs) bands (ev): -49.5721 -49.5721 -26.2496 -26.2496 -25.6052 -25.6052 -25.5827 -25.5827 -5.1615 -5.1615 -4.8096 -4.8096 4.0151 4.0151 4.4437 4.4437 5.4379 5.4379 5.9628 5.9628 6.4914 6.4914 6.7644 6.7644 8.7528 8.7528 9.2403 9.2403 9.9866 9.9866 10.6754 10.6754 k = 0.1278 0.2213 0.2947 ( 5302 PWs) bands (ev): -49.5724 -49.5724 -26.2487 -26.2487 -25.6034 -25.6034 -25.5826 -25.5826 -5.1990 -5.1990 -4.8291 -4.8291 4.0633 4.0633 4.4497 4.4497 5.4715 5.4715 6.0044 6.0044 6.5491 6.5491 6.7744 6.7744 8.7471 8.7471 9.2475 9.2475 9.9882 9.9882 10.6623 10.6623 k = 0.1222 0.2117 0.2947 ( 5306 PWs) bands (ev): -49.5726 -49.5726 -26.2477 -26.2477 -25.6016 -25.6016 -25.5826 -25.5826 -5.2357 -5.2357 -4.8482 -4.8482 4.1131 4.1131 4.4483 4.4483 5.5056 5.5056 6.0537 6.0537 6.5915 6.5915 6.7962 6.7962 8.7420 8.7420 9.2513 9.2513 9.9852 9.9852 10.6573 10.6573 k = 0.1167 0.2021 0.2947 ( 5306 PWs) bands (ev): -49.5728 -49.5728 -26.2468 -26.2468 -25.5998 -25.5998 -25.5825 -25.5825 -5.2713 -5.2713 -4.8668 -4.8668 4.1644 4.1644 4.4413 4.4413 5.5373 5.5373 6.1122 6.1122 6.6120 6.6120 6.8369 6.8369 8.7373 8.7373 9.2507 9.2507 9.9778 9.9778 10.6612 10.6612 k = 0.1111 0.1925 0.2947 ( 5310 PWs) bands (ev): -49.5730 -49.5730 -26.2459 -26.2459 -25.5981 -25.5981 -25.5824 -25.5824 -5.3060 -5.3060 -4.8848 -4.8848 4.2165 4.2165 4.4304 4.4304 5.5645 5.5645 6.1800 6.1800 6.6133 6.6133 6.8942 6.8942 8.7328 8.7328 9.2452 9.2452 9.9662 9.9662 10.6743 10.6743 k = 0.1056 0.1828 0.2947 ( 5314 PWs) bands (ev): -49.5732 -49.5732 -26.2451 -26.2451 -25.5964 -25.5964 -25.5824 -25.5824 -5.3394 -5.3394 -4.9023 -4.9023 4.2681 4.2681 4.4182 4.4182 5.5863 5.5863 6.2555 6.2555 6.6035 6.6035 6.9615 6.9615 8.7286 8.7286 9.2343 9.2343 9.9505 9.9505 10.6969 10.6969 k = 0.1000 0.1732 0.2947 ( 5314 PWs) bands (ev): -49.5735 -49.5735 -26.2442 -26.2442 -25.5947 -25.5947 -25.5823 -25.5823 -5.3717 -5.3717 -4.9191 -4.9191 4.3139 4.3139 4.4110 4.4110 5.6028 5.6028 6.3340 6.3340 6.5912 6.5912 7.0339 7.0339 8.7245 8.7245 9.2180 9.2180 9.9310 9.9310 10.7287 10.7287 k = 0.0944 0.1636 0.2947 ( 5314 PWs) bands (ev): -49.5737 -49.5737 -26.2434 -26.2434 -25.5931 -25.5931 -25.5822 -25.5822 -5.4026 -5.4026 -4.9353 -4.9353 4.3364 4.3364 4.4270 4.4270 5.6146 5.6146 6.4017 6.4017 6.5912 6.5912 7.1091 7.1091 8.7204 8.7204 9.1962 9.1962 9.9078 9.9078 10.7694 10.7694 k = 0.0889 0.1540 0.2947 ( 5310 PWs) bands (ev): -49.5739 -49.5739 -26.2426 -26.2426 -25.5916 -25.5916 -25.5821 -25.5821 -5.4321 -5.4321 -4.9508 -4.9508 4.3302 4.3302 4.4723 4.4723 5.6223 5.6223 6.4298 6.4298 6.6321 6.6321 7.1858 7.1858 8.7162 8.7162 9.1695 9.1695 9.8810 9.8810 10.8182 10.8182 k = 0.0833 0.1443 0.2947 ( 5322 PWs) bands (ev): -49.5740 -49.5740 -26.2419 -26.2419 -25.5902 -25.5902 -25.5820 -25.5820 -5.4602 -5.4602 -4.9655 -4.9655 4.3138 4.3138 4.5288 4.5288 5.6269 5.6269 6.4160 6.4160 6.7155 6.7155 7.2634 7.2634 8.7117 8.7117 9.1382 9.1382 9.8509 9.8509 10.8742 10.8742 k = 0.0778 0.1347 0.2947 ( 5320 PWs) bands (ev): -49.5742 -49.5742 -26.2412 -26.2412 -25.5889 -25.5889 -25.5818 -25.5818 -5.4867 -5.4867 -4.9794 -4.9794 4.2946 4.2946 4.5894 4.5894 5.6290 5.6290 6.3832 6.3832 6.8178 6.8178 7.3416 7.3416 8.7068 8.7068 9.1029 9.1029 9.8175 9.8175 10.9364 10.9364 k = 0.0722 0.1251 0.2947 ( 5320 PWs) bands (ev): -49.5744 -49.5744 -26.2405 -26.2405 -25.5877 -25.5877 -25.5816 -25.5816 -5.5117 -5.5117 -4.9925 -4.9925 4.2747 4.2747 4.6522 4.6522 5.6292 5.6292 6.3418 6.3418 6.9280 6.9280 7.4199 7.4199 8.7014 8.7014 9.0640 9.0640 9.7811 9.7811 11.0037 11.0037 k = 0.0667 0.1155 0.2947 ( 5324 PWs) bands (ev): -49.5746 -49.5746 -26.2399 -26.2399 -25.5867 -25.5867 -25.5813 -25.5813 -5.5350 -5.5350 -5.0048 -5.0048 4.2551 4.2551 4.7165 4.7165 5.6279 5.6279 6.2952 6.2952 7.0417 7.0417 7.4983 7.4983 8.6951 8.6951 9.0222 9.0222 9.7417 9.7417 11.0750 11.0750 k = 0.0611 0.1058 0.2947 ( 5316 PWs) bands (ev): -49.5747 -49.5747 -26.2393 -26.2393 -25.5858 -25.5858 -25.5809 -25.5809 -5.5567 -5.5567 -5.0162 -5.0162 4.2362 4.2362 4.7820 4.7820 5.6257 5.6257 6.2449 6.2449 7.1569 7.1569 7.5767 7.5767 8.6878 8.6878 8.9779 8.9779 9.6997 9.6997 11.1490 11.1490 k = 0.0556 0.0962 0.2947 ( 5324 PWs) bands (ev): -49.5748 -49.5748 -26.2388 -26.2388 -25.5852 -25.5852 -25.5803 -25.5803 -5.5766 -5.5766 -5.0267 -5.0267 4.2183 4.2183 4.8485 4.8485 5.6227 5.6227 6.1916 6.1916 7.2721 7.2721 7.6549 7.6549 8.6790 8.6790 8.9316 8.9316 9.6555 9.6555 11.2244 11.2244 k = 0.0500 0.0866 0.2947 ( 5324 PWs) bands (ev): -49.5750 -49.5750 -26.2383 -26.2383 -25.5847 -25.5847 -25.5797 -25.5797 -5.5947 -5.5947 -5.0362 -5.0362 4.2017 4.2017 4.9158 4.9158 5.6193 5.6193 6.1359 6.1359 7.3859 7.3859 7.7331 7.7331 8.6682 8.6682 8.8838 8.8838 9.6094 9.6094 11.2996 11.2996 k = 0.0444 0.0770 0.2947 ( 5324 PWs) bands (ev): -49.5751 -49.5751 -26.2378 -26.2378 -25.5844 -25.5844 -25.5791 -25.5791 -5.6110 -5.6110 -5.0448 -5.0448 4.1864 4.1864 4.9837 4.9837 5.6157 5.6157 6.0781 6.0781 7.4972 7.4972 7.8114 7.8114 8.6548 8.6548 8.8350 8.8350 9.5622 9.5622 11.3731 11.3731 k = 0.0389 0.0674 0.2947 ( 5316 PWs) bands (ev): -49.5752 -49.5752 -26.2374 -26.2374 -25.5842 -25.5842 -25.5784 -25.5784 -5.6255 -5.6255 -5.0525 -5.0525 4.1727 4.1727 5.0520 5.0520 5.6119 5.6119 6.0187 6.0187 7.6046 7.6046 7.8898 7.8898 8.6378 8.6378 8.7857 8.7857 9.5147 9.5147 11.4429 11.4429 k = 0.0333 0.0577 0.2947 ( 5318 PWs) bands (ev): -49.5753 -49.5753 -26.2371 -26.2371 -25.5840 -25.5840 -25.5779 -25.5779 -5.6381 -5.6381 -5.0592 -5.0592 4.1606 4.1606 5.1205 5.1205 5.6080 5.6080 5.9579 5.9579 7.7067 7.7067 7.9686 7.9686 8.6163 8.6163 8.7367 8.7367 9.4680 9.4680 11.5067 11.5067 k = 0.0278 0.0481 0.2947 ( 5314 PWs) bands (ev): -49.5753 -49.5753 -26.2368 -26.2368 -25.5839 -25.5839 -25.5773 -25.5773 -5.6489 -5.6489 -5.0648 -5.0648 4.1503 4.1503 5.1890 5.1890 5.6040 5.6040 5.8965 5.8965 7.8019 7.8019 8.0477 8.0477 8.5892 8.5892 8.6886 8.6886 9.4238 9.4238 11.5624 11.5624 k = 0.0222 0.0385 0.2947 ( 5326 PWs) bands (ev): -49.5754 -49.5754 -26.2366 -26.2366 -25.5838 -25.5838 -25.5769 -25.5769 -5.6577 -5.6577 -5.0695 -5.0695 4.1417 4.1417 5.2572 5.2572 5.5994 5.5994 5.8350 5.8350 7.8885 7.8885 8.1268 8.1268 8.5564 8.5564 8.6412 8.6412 9.3836 9.3836 11.6078 11.6078 k = 0.0167 0.0289 0.2947 ( 5322 PWs) bands (ev): -49.5755 -49.5755 -26.2364 -26.2364 -25.5838 -25.5838 -25.5765 -25.5765 -5.6645 -5.6645 -5.0731 -5.0731 4.1350 4.1350 5.3247 5.3247 5.5934 5.5934 5.7753 5.7753 7.9646 7.9646 8.2051 8.2051 8.5197 8.5197 8.5933 8.5933 9.3495 9.3495 11.6421 11.6421 k = 0.0111 0.0192 0.2947 ( 5318 PWs) bands (ev): -49.5755 -49.5755 -26.2363 -26.2363 -25.5838 -25.5838 -25.5762 -25.5762 -5.6694 -5.6694 -5.0757 -5.0757 4.1302 4.1302 5.3904 5.3904 5.5828 5.5828 5.7213 5.7213 8.0269 8.0269 8.2813 8.2813 8.4837 8.4837 8.5427 8.5427 9.3235 9.3235 11.6654 11.6654 k = 0.0056 0.0096 0.2947 ( 5314 PWs) bands (ev): -49.5755 -49.5755 -26.2362 -26.2362 -25.5837 -25.5837 -25.5761 -25.5761 -5.6724 -5.6724 -5.0773 -5.0773 4.1273 4.1273 5.4519 5.4519 5.5609 5.5609 5.6823 5.6823 8.0699 8.0699 8.3532 8.3532 8.4556 8.4556 8.4877 8.4877 9.3071 9.3071 11.6788 11.6788 k = 0.0000 0.0000 0.2947 ( 5312 PWs) bands (ev): -49.5755 -49.5755 -26.2361 -26.2361 -25.5837 -25.5837 -25.5760 -25.5760 -5.6734 -5.6734 -5.0778 -5.0778 4.1263 4.1263 5.4920 5.4920 5.5347 5.5347 5.6686 5.6686 8.0857 8.0857 8.4065 8.4065 8.4404 8.4404 8.4446 8.4446 9.3015 9.3015 11.6831 11.6831 k = 0.5000 0.2887 0.2947 ( 5264 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5114 -4.5114 -4.2451 -4.2451 2.6692 2.6692 3.4224 3.4224 5.2428 5.2428 5.4695 5.4695 6.6747 6.6747 6.9917 6.9917 7.8826 7.8826 9.3668 9.3668 9.7263 9.7263 11.2458 11.2458 k = 0.5000 0.2887 0.2837 ( 5258 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5113 -4.5113 -4.2454 -4.2454 2.6694 2.6694 3.4243 3.4243 5.2422 5.2422 5.4698 5.4698 6.6710 6.6710 6.9896 6.9896 7.8846 7.8846 9.3668 9.3668 9.7264 9.7264 11.2475 11.2475 k = 0.5000 0.2887 0.2728 ( 5262 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5107 -4.5107 -4.2462 -4.2462 2.6699 2.6699 3.4299 3.4299 5.2405 5.2405 5.4707 5.4707 6.6599 6.6599 6.9833 6.9833 7.8904 7.8904 9.3669 9.3669 9.7268 9.7268 11.2523 11.2523 k = 0.5000 0.2887 0.2619 ( 5262 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5098 -4.5098 -4.2475 -4.2475 2.6708 2.6708 3.4393 3.4393 5.2376 5.2376 5.4722 5.4722 6.6415 6.6415 6.9733 6.9733 7.8997 7.8997 9.3669 9.3669 9.7274 9.7274 11.2604 11.2604 k = 0.5000 0.2887 0.2510 ( 5262 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5085 -4.5085 -4.2494 -4.2494 2.6721 2.6721 3.4524 3.4524 5.2335 5.2335 5.4743 5.4743 6.6158 6.6158 6.9602 6.9602 7.9118 7.9118 9.3670 9.3670 9.7282 9.7282 11.2715 11.2715 k = 0.5000 0.2887 0.2401 ( 5254 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5068 -4.5068 -4.2517 -4.2517 2.6737 2.6737 3.4690 3.4690 5.2283 5.2283 5.4772 5.4772 6.5831 6.5831 6.9447 6.9447 7.9262 7.9262 9.3671 9.3671 9.7292 9.7292 11.2855 11.2855 k = 0.5000 0.2887 0.2292 ( 5256 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5047 -4.5047 -4.2546 -4.2546 2.6758 2.6758 3.4890 3.4890 5.2220 5.2220 5.4808 5.4808 6.5438 6.5438 6.9273 6.9273 7.9422 7.9422 9.3672 9.3672 9.7305 9.7305 11.3023 11.3023 k = 0.5000 0.2887 0.2183 ( 5256 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.5023 -4.5023 -4.2579 -4.2579 2.6783 2.6783 3.5123 3.5123 5.2145 5.2145 5.4853 5.4853 6.4985 6.4985 6.9086 6.9086 7.9591 7.9591 9.3673 9.3673 9.7319 9.7319 11.3217 11.3217 k = 0.5000 0.2887 0.2074 ( 5260 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4996 -4.4996 -4.2617 -4.2617 2.6813 2.6813 3.5386 3.5386 5.2061 5.2061 5.4905 5.4905 6.4478 6.4478 6.8888 6.8888 7.9763 7.9763 9.3675 9.3675 9.7334 9.7334 11.3433 11.3433 k = 0.5000 0.2887 0.1964 ( 5260 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4965 -4.4965 -4.2660 -4.2660 2.6847 2.6847 3.5679 3.5679 5.1968 5.1968 5.4966 5.4966 6.3923 6.3923 6.8682 6.8682 7.9935 7.9935 9.3676 9.3676 9.7350 9.7350 11.3670 11.3670 k = 0.5000 0.2887 0.1855 ( 5260 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4930 -4.4930 -4.2707 -4.2707 2.6885 2.6885 3.5999 3.5999 5.1868 5.1868 5.5035 5.5035 6.3328 6.3328 6.8470 6.8470 8.0103 8.0103 9.3678 9.3678 9.7367 9.7367 11.3923 11.3923 k = 0.5000 0.2887 0.1746 ( 5262 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4892 -4.4892 -4.2758 -4.2758 2.6928 2.6928 3.6343 3.6343 5.1763 5.1763 5.5111 5.5111 6.2699 6.2699 6.8253 6.8253 8.0263 8.0263 9.3679 9.3679 9.7384 9.7384 11.4189 11.4189 k = 0.5000 0.2887 0.1637 ( 5260 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4851 -4.4851 -4.2812 -4.2812 2.6974 2.6974 3.6709 3.6709 5.1655 5.1655 5.5194 5.5194 6.2044 6.2044 6.8033 6.8033 8.0414 8.0414 9.3681 9.3681 9.7401 9.7401 11.4462 11.4462 k = 0.5000 0.2887 0.1528 ( 5252 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4806 -4.4806 -4.2870 -4.2870 2.7023 2.7023 3.7095 3.7095 5.1547 5.1547 5.5282 5.5282 6.1367 6.1367 6.7812 6.7812 8.0555 8.0555 9.3683 9.3683 9.7419 9.7419 11.4734 11.4734 k = 0.5000 0.2887 0.1419 ( 5252 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4759 -4.4759 -4.2931 -4.2931 2.7075 2.7075 3.7495 3.7495 5.1442 5.1442 5.5375 5.5375 6.0676 6.0676 6.7591 6.7591 8.0684 8.0684 9.3684 9.3684 9.7436 9.7436 11.4992 11.4992 k = 0.5000 0.2887 0.1310 ( 5252 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4708 -4.4708 -4.2995 -4.2995 2.7128 2.7128 3.7908 3.7908 5.1343 5.1343 5.5470 5.5470 5.9975 5.9975 6.7372 6.7372 8.0801 8.0801 9.3686 9.3686 9.7452 9.7452 11.5193 11.5193 k = 0.5000 0.2887 0.1200 ( 5236 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4655 -4.4655 -4.3062 -4.3062 2.7183 2.7183 3.8329 3.8329 5.1254 5.1254 5.5566 5.5566 5.9270 5.9270 6.7158 6.7158 8.0907 8.0907 9.3687 9.3687 9.7468 9.7468 11.5223 11.5223 k = 0.5000 0.2887 0.1091 ( 5248 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4598 -4.4598 -4.3131 -4.3131 2.7237 2.7237 3.8753 3.8753 5.1180 5.1180 5.5661 5.5661 5.8568 5.8568 6.6950 6.6950 8.1001 8.1001 9.3688 9.3688 9.7482 9.7482 11.5030 11.5030 k = 0.5000 0.2887 0.0982 ( 5258 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4540 -4.4540 -4.3202 -4.3202 2.7290 2.7290 3.9174 3.9174 5.1123 5.1123 5.5750 5.5750 5.7876 5.7876 6.6752 6.6752 8.1084 8.1084 9.3690 9.3690 9.7496 9.7496 11.4755 11.4755 k = 0.5000 0.2887 0.0873 ( 5262 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4478 -4.4478 -4.3275 -4.3275 2.7342 2.7342 3.9586 3.9586 5.1090 5.1090 5.5824 5.5824 5.7207 5.7207 6.6565 6.6565 8.1156 8.1156 9.3691 9.3691 9.7509 9.7509 11.4477 11.4477 k = 0.5000 0.2887 0.0764 ( 5264 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4415 -4.4415 -4.3348 -4.3348 2.7390 2.7390 3.9981 3.9981 5.1085 5.1085 5.5846 5.5846 5.6601 5.6601 6.6392 6.6392 8.1217 8.1217 9.3692 9.3692 9.7520 9.7520 11.4217 11.4217 k = 0.5000 0.2887 0.0655 ( 5268 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4350 -4.4350 -4.3423 -4.3423 2.7435 2.7435 4.0352 4.0352 5.1113 5.1113 5.5629 5.5629 5.6252 5.6252 6.6235 6.6235 8.1269 8.1269 9.3692 9.3692 9.7530 9.7530 11.3984 11.3984 k = 0.5000 0.2887 0.0546 ( 5264 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4283 -4.4283 -4.3497 -4.3497 2.7474 2.7474 4.0689 4.0689 5.1178 5.1178 5.5117 5.5117 5.6219 5.6219 6.6098 6.6098 8.1312 8.1312 9.3693 9.3693 9.7538 9.7538 11.3784 11.3784 k = 0.5000 0.2887 0.0437 ( 5246 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4216 -4.4216 -4.3571 -4.3571 2.7508 2.7508 4.0983 4.0983 5.1284 5.1284 5.4565 5.4565 5.6255 5.6255 6.5982 6.5982 8.1346 8.1346 9.3694 9.3694 9.7545 9.7545 11.3617 11.3617 k = 0.5000 0.2887 0.0327 ( 5254 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4149 -4.4149 -4.3644 -4.3644 2.7535 2.7535 4.1224 4.1224 5.1428 5.1428 5.4048 5.4048 5.6295 5.6295 6.5889 6.5889 8.1372 8.1372 9.3694 9.3694 9.7550 9.7550 11.3486 11.3486 k = 0.5000 0.2887 0.0218 ( 5256 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4085 -4.4085 -4.3712 -4.3712 2.7554 2.7554 4.1403 4.1403 5.1601 5.1601 5.3598 5.3598 5.6328 5.6328 6.5822 6.5822 8.1391 8.1391 9.3695 9.3695 9.7554 9.7554 11.3392 11.3392 k = 0.5000 0.2887 0.0109 ( 5256 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4031 -4.4031 -4.3768 -4.3768 2.7566 2.7566 4.1514 4.1514 5.1769 5.1769 5.3260 5.3260 5.6349 5.6349 6.5781 6.5781 8.1402 8.1402 9.3695 9.3695 9.7557 9.7557 11.3336 11.3336 k = 0.5000 0.2887-0.0000 ( 5246 PWs) bands (ev): -49.5678 -49.5678 -26.2684 -26.2684 -25.6406 -25.6406 -25.5805 -25.5805 -4.4007 -4.4007 -4.3793 -4.3793 2.7570 2.7570 4.1551 4.1551 5.1847 5.1847 5.3124 5.3124 5.6356 5.6356 6.5767 6.5767 8.1405 8.1405 9.3695 9.3695 9.7557 9.7557 11.3317 11.3317 k = 0.3333 0.5774-0.0000 ( 5286 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2513 -4.2513 -4.2461 -4.2461 3.6515 3.6515 3.8869 3.8869 4.0419 4.0419 5.3697 5.3697 5.4108 5.4108 5.6274 5.6274 9.0794 9.0794 9.6414 9.6414 9.6912 9.6912 10.6839 10.6839 k = 0.3333 0.5774 0.0109 ( 5292 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2512 -4.2512 -4.2461 -4.2461 3.6525 3.6525 3.8856 3.8856 4.0404 4.0404 5.3713 5.3713 5.4127 5.4127 5.6260 5.6260 9.0794 9.0794 9.6399 9.6399 9.6896 9.6896 10.6866 10.6866 k = 0.3333 0.5774 0.0218 ( 5307 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2512 -4.2512 -4.2460 -4.2460 3.6554 3.6554 3.8817 3.8817 4.0359 4.0359 5.3759 5.3759 5.4182 5.4182 5.6219 5.6219 9.0795 9.0795 9.6352 9.6352 9.6847 9.6847 10.6945 10.6945 k = 0.3333 0.5774 0.0327 ( 5289 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2511 -4.2511 -4.2460 -4.2460 3.6602 3.6602 3.8754 3.8754 4.0286 4.0286 5.3831 5.3831 5.4273 5.4273 5.6154 5.6154 9.0797 9.0797 9.6276 9.6276 9.6769 9.6769 10.7075 10.7075 k = 0.3333 0.5774 0.0437 ( 5277 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2510 -4.2510 -4.2459 -4.2459 3.6670 3.6670 3.8668 3.8668 4.0187 4.0187 5.3922 5.3922 5.4397 5.4397 5.6072 5.6072 9.0800 9.0800 9.6173 9.6173 9.6663 9.6663 10.7252 10.7252 k = 0.3333 0.5774 0.0546 ( 5286 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2509 -4.2509 -4.2458 -4.2458 3.6756 3.6756 3.8561 3.8561 4.0064 4.0064 5.4019 5.4019 5.4553 5.4553 5.5982 5.5982 9.0804 9.0804 9.6047 9.6047 9.6533 9.6533 10.7475 10.7475 k = 0.3333 0.5774 0.0655 ( 5283 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2508 -4.2508 -4.2456 -4.2456 3.6861 3.6861 3.8436 3.8436 3.9922 3.9922 5.4102 5.4102 5.4736 5.4736 5.5904 5.5904 9.0808 9.0808 9.5901 9.5901 9.6382 9.6382 10.7738 10.7738 k = 0.3333 0.5774 0.0764 ( 5289 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2506 -4.2506 -4.2455 -4.2455 3.6983 3.6983 3.8295 3.8295 3.9763 3.9763 5.4143 5.4143 5.4944 5.4944 5.5862 5.5862 9.0813 9.0813 9.5738 9.5738 9.6215 9.6215 10.8038 10.8038 k = 0.3333 0.5774 0.0873 ( 5289 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2505 -4.2505 -4.2453 -4.2453 3.7122 3.7122 3.8141 3.8141 3.9592 3.9592 5.4113 5.4113 5.5173 5.5173 5.5882 5.5882 9.0818 9.0818 9.5562 9.5562 9.6035 9.6035 10.8370 10.8370 k = 0.3333 0.5774 0.0982 ( 5301 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2503 -4.2503 -4.2451 -4.2451 3.7276 3.7276 3.7978 3.7978 3.9413 3.9413 5.3998 5.3998 5.5418 5.5418 5.5979 5.5979 9.0824 9.0824 9.5377 9.5377 9.5846 9.5846 10.8729 10.8729 k = 0.3333 0.5774 0.1091 ( 5289 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2501 -4.2501 -4.2449 -4.2449 3.7443 3.7443 3.7808 3.7808 3.9230 3.9230 5.3806 5.3806 5.5677 5.5677 5.6141 5.6141 9.0830 9.0830 9.5185 9.5185 9.5651 9.5651 10.9113 10.9113 k = 0.3333 0.5774 0.1200 ( 5295 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2499 -4.2499 -4.2447 -4.2447 3.7620 3.7620 3.7634 3.7634 3.9050 3.9050 5.3554 5.3554 5.5945 5.5945 5.6351 5.6351 9.0837 9.0837 9.4990 9.4990 9.5453 9.5453 10.9516 10.9516 k = 0.3333 0.5774 0.1310 ( 5289 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2496 -4.2496 -4.2445 -4.2445 3.7458 3.7458 3.7799 3.7799 3.8881 3.8881 5.3257 5.3257 5.6218 5.6218 5.6591 5.6591 9.0843 9.0843 9.4795 9.4795 9.5255 9.5255 10.9934 10.9934 k = 0.3333 0.5774 0.1419 ( 5295 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2494 -4.2494 -4.2443 -4.2443 3.7284 3.7284 3.7962 3.7962 3.8745 3.8745 5.2930 5.2930 5.6492 5.6492 5.6848 5.6848 9.0850 9.0850 9.4602 9.4602 9.5059 9.5059 11.0362 11.0362 k = 0.3333 0.5774 0.1528 ( 5292 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2492 -4.2492 -4.2441 -4.2441 3.7113 3.7113 3.8058 3.8058 3.8691 3.8691 5.2580 5.2580 5.6765 5.6765 5.7113 5.7113 9.0857 9.0857 9.4413 9.4413 9.4867 9.4867 11.0798 11.0798 k = 0.3333 0.5774 0.1637 ( 5292 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2490 -4.2490 -4.2439 -4.2439 3.6947 3.6947 3.8033 3.8033 3.8773 3.8773 5.2216 5.2216 5.7032 5.7032 5.7379 5.7379 9.0863 9.0863 9.4230 9.4230 9.4682 9.4682 11.1234 11.1234 k = 0.3333 0.5774 0.1746 ( 5292 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2487 -4.2487 -4.2436 -4.2436 3.6788 3.6788 3.7927 3.7927 3.8954 3.8954 5.1843 5.1843 5.7291 5.7291 5.7639 5.7639 9.0869 9.0869 9.4055 9.4055 9.4505 9.4505 11.1668 11.1668 k = 0.3333 0.5774 0.1855 ( 5298 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2485 -4.2485 -4.2434 -4.2434 3.6637 3.6637 3.7794 3.7794 3.9176 3.9176 5.1467 5.1467 5.7538 5.7538 5.7891 5.7891 9.0875 9.0875 9.3889 9.3889 9.4339 9.4339 11.2093 11.2093 k = 0.3333 0.5774 0.1964 ( 5274 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2483 -4.2483 -4.2432 -4.2432 3.6497 3.6497 3.7658 3.7658 3.9415 3.9415 5.1094 5.1094 5.7771 5.7771 5.8129 5.8129 9.0881 9.0881 9.3735 9.3735 9.4183 9.4183 11.2504 11.2504 k = 0.3333 0.5774 0.2074 ( 5271 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2481 -4.2481 -4.2431 -4.2431 3.6369 3.6369 3.7528 3.7528 3.9659 3.9659 5.0731 5.0731 5.7987 5.7987 5.8350 5.8350 9.0886 9.0886 9.3593 9.3593 9.4040 9.4040 11.2896 11.2896 k = 0.3333 0.5774 0.2183 ( 5265 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2480 -4.2480 -4.2429 -4.2429 3.6253 3.6253 3.7408 3.7408 3.9899 3.9899 5.0382 5.0382 5.8183 5.8183 5.8552 5.8552 9.0891 9.0891 9.3464 9.3464 9.3911 9.3911 11.3261 11.3261 k = 0.3333 0.5774 0.2292 ( 5280 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2478 -4.2478 -4.2427 -4.2427 3.6151 3.6151 3.7302 3.7302 4.0131 4.0131 5.0056 5.0056 5.8358 5.8358 5.8733 5.8733 9.0895 9.0895 9.3351 9.3351 9.3797 9.3797 11.3595 11.3595 k = 0.3333 0.5774 0.2401 ( 5286 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2477 -4.2477 -4.2426 -4.2426 3.6063 3.6063 3.7210 3.7210 4.0345 4.0345 4.9759 4.9759 5.8509 5.8509 5.8889 5.8889 9.0899 9.0899 9.3253 9.3253 9.3699 9.3699 11.3891 11.3891 k = 0.3333 0.5774 0.2510 ( 5292 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2475 -4.2475 -4.2425 -4.2425 3.5990 3.5990 3.7133 3.7133 4.0536 4.0536 4.9500 4.9500 5.8635 5.8635 5.9019 5.9019 9.0901 9.0901 9.3172 9.3172 9.3617 9.3617 11.4142 11.4142 k = 0.3333 0.5774 0.2619 ( 5292 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2475 -4.2475 -4.2424 -4.2424 3.5933 3.5933 3.7073 3.7073 4.0695 4.0695 4.9287 4.9287 5.8735 5.8735 5.9122 5.9122 9.0904 9.0904 9.3108 9.3108 9.3553 9.3553 11.4345 11.4345 k = 0.3333 0.5774 0.2728 ( 5292 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2474 -4.2474 -4.2423 -4.2423 3.5892 3.5892 3.7029 3.7029 4.0815 4.0815 4.9128 4.9128 5.8807 5.8807 5.9196 5.9196 9.0906 9.0906 9.3062 9.3062 9.3507 9.3507 11.4493 11.4493 k = 0.3333 0.5774 0.2837 ( 5277 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2473 -4.2473 -4.2423 -4.2423 3.5867 3.5867 3.7003 3.7003 4.0890 4.0890 4.9030 4.9030 5.8850 5.8850 5.9241 5.9241 9.0907 9.0907 9.3035 9.3035 9.3479 9.3479 11.4583 11.4583 k = 0.3333 0.5774 0.2947 ( 5268 PWs) bands (ev): -49.5669 -49.5669 -26.2712 -26.2712 -25.6417 -25.6417 -25.5885 -25.5885 -4.2473 -4.2473 -4.2423 -4.2423 3.5859 3.5859 3.6994 3.6994 4.0916 4.0916 4.8996 4.8996 5.8865 5.8865 5.9256 5.9256 9.0907 9.0907 9.3025 9.3025 9.3470 9.3470 11.4613 11.4613 Writing output data file TiSe2.save init_run : 0.18s CPU 0.29s WALL ( 1 calls) electrons : 95.22s CPU 97.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 95.22s CPU 97.22s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 374 calls) cegterg : 89.08s CPU 90.59s WALL ( 398 calls) Called by sum_band: Called by *egterg: h_psi : 55.72s CPU 57.38s WALL ( 7213 calls) s_psi : 1.00s CPU 0.98s WALL ( 7213 calls) g_psi : 0.24s CPU 0.25s WALL ( 6441 calls) cdiaghg : 26.16s CPU 26.19s WALL ( 6815 calls) cegterg:over : 3.76s CPU 3.91s WALL ( 6441 calls) cegterg:upda : 3.15s CPU 3.16s WALL ( 6441 calls) cegterg:last : 2.46s CPU 2.35s WALL ( 1553 calls) cdiaghg:chol : 1.34s CPU 1.46s WALL ( 6815 calls) cdiaghg:inve : 0.60s CPU 0.68s WALL ( 6815 calls) cdiaghg:para : 1.45s CPU 1.48s WALL ( 13630 calls) Called by h_psi: h_psi:vloc : 51.66s CPU 53.23s WALL ( 7213 calls) h_psi:vnl : 3.88s CPU 3.98s WALL ( 7213 calls) add_vuspsi : 1.92s CPU 1.95s WALL ( 7213 calls) General routines calbec : 1.95s CPU 2.01s WALL ( 7213 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 48.94s CPU 50.44s WALL ( 623032 calls) davcio : 0.16s CPU 0.19s WALL ( 748 calls) Parallel routines fft_scatter : 17.94s CPU 18.64s WALL ( 623047 calls) PWSCF : 1m47.89s CPU 2m 3.65s WALL This run was terminated on: 21:15:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=